(Q105183066)

(2R,3R,4S,5S,6R)-2-[[(8S,9S,10R,13R,14S)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

inferred from SMILES

1 reference

1 reference

576.43898964 dalton

1 reference

(2R,3R,4R,5S,6R)-2-[[(3S,8S,9R,10R,13S,14S,17S)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

inferred from SMILES

stereoisomer of

2 references

1 reference

(2R,3R,4S,5S,6R)-2-[[(3S,8S,9S,10R,13R,14S,17S)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

2 references

beta-Sitosteryl galactoside

2 references

(2R,3S,4S,5S,6S)-2-[[(3S,8R,9R,10R,13R,14R,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

2 references

(2R,3S,4R,5R,6R)-2-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

2 references

(2R,3R,4S,5S,6R)-2-[[(3S,8R,9S,10R,13R,14R,17S)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

2 references

(2S,3R,4S,5S,6R)-2-[[(3S,8R,9R,10R,13R,14R,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

2 references

2 references

(2R,3R,4S,5S,6R)-2-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(2S,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

2 references

(2R,3R,4S,5S,6R)-2-[[(3S,8R,9R,10R,13R,14R,17R)-17-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

2 references

(2S,3S,4R,5R,6S)-2-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

1 reference

(2R,3R,4S,5S,6R)-2-[[(3R,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

1 reference

(2R,3R,4S,5S,6R)-2-[[(3S,8R,9R,10R,13R,14R,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

1 reference

(2S,3S,4R,5R,6S)-2-[[(3S,8R,9S,10R,13R,14R,17S)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

1 reference

(2R,3R,4S,5S,6R)-2-[[(3S,8S,9R,10R,13S,14S,17S)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

1 reference

3beta-(alpha-D-Glucopyranosyloxy)stigmasta-5-ene

1 reference

(2R,3R,4S,5S,6R)-2-[[(3S,8R,9S,10R,13R,14R,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

1 reference

chemical formula

C₃₅H₆₀O₆

0 references

canonical SMILES

OCC1OC(OC2CC3=CCC4C(CCC5(C)C(CCC45)C(C)CCC(CC)C(C)C)C3(C)CC2)C(O)C(O)C1O

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isomeric SMILES

CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C

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found in taxon

Achillea ageratum

1 reference

Further constituents of Achillea ageratum

Agave americana

1 reference

Four new steroid constituents from the waste residue of fibre separation from Agave americana leaves

Aglaia rubiginosa

1 reference

Phytochemical investigation of Aglaia rubiginosa

Ajania fruticulosa

1 reference

Antifungal highly oxygenated guaianolides and other constituents from Ajania fruticulosa

Alpinia blepharocalyx

1 reference

Six new diarylheptanoids from the seeds of Alpinia blepharocalyx

Alpinia roxburghii

1 reference

Six new diarylheptanoids from the seeds of Alpinia blepharocalyx

Alpinia pinnanensis

1 reference

New diarylheptanoids from Alpinia pinnanensis

Annona purpurea

1 reference

Antiplatelet aggregation constituents from Annona purpurea

Aristolochia kaempferi

2 references

Aristofolin-A, a denitro-aristolochic acid glycoside and other constituents from Aristolochia kaempferi

The constituents of the root and stem of Aristolochia heterophylla Hemsl

Artabotrys hexapetalus

1 reference

New constituents from stems of Artabotrys uncinatus.

Artemisia minor

1 reference

Chemical constituents from the aerial parts of Artemisia minor.

Artemisia sieversiana

1 reference

Lignans and sesquiterpene lactones from Artemisia sieversiana and Inula racemosa

Balanophora abbreviata

1 reference

A new lignan from Balanophora abbreviata and inhibition of lipopolysaccharide (LPS)-induced inducible nitric oxide synthase (iNOS) expression

Begonia nantoensis

1 reference

Cytotoxic and anti-HIV principles from the rhizomes of Begonia nantoensis

Beilschmiedia zenkeri

1 reference

Bioactive constituents of the stem bark of Beilschmiedia zenkeri

Borassus flabellifer

1 reference

Medicinal flowers. XII.(1)) New spirostane-type steroid saponins with antidiabetogenic activity from Borassus flabellifer

Centaurea bracteata

1 reference

A flavonoid sulphate and other compounds from the roots of Centaurea bracteata

Centrosema pubescens

1 reference

Pubescidin, an isoflavone glycoside from Centrosema pubescens

Chione venosa

1 reference

Phenolic and terpenoid compounds from Chione venosa (sw.) urban var. venosa (Bois Bandé).

Cipadessa baccifera

1 reference

Three new limonoids from Cipadessa cinerascens.

Cipadessa cinerascens

1 reference

Three new limonoids from Cipadessa cinerascens.

Clusia nemorosa

1 reference

Alkyl chromone and other compounds from Clusia nemorosa

Combretum quadrangulare

1 reference

Three new triterpenes from the seeds of Combretum quadrangulare and their hepatoprotective activity.

Cryptolepis obtusa

1 reference

Steroidal alkaloids from Cryptolepis obtusa

Dicliptera riparia

1 reference

Glycosides from Dicliptera riparia

Dioscorea spongiosa

1 reference

Steroidal glycosides from the rhizomes of Dioscorea spongiosa

Dryopteris crassirhizoma

1 reference

Two new triterpenes from the Rhizome of Dryopteris crassirhizoma, and inhibitory activities of its constituents on human immunodeficiency virus-1 protease

Embelia ribes

1 reference

A nitrogen-containing 3-alkyl-1,4-benzoquinone and a gomphilactone derivative from Embelia ribes

Erycibe expansa

1 reference

Structures of new flavonoids, erycibenins D, E, and F, and NO production inhibitors from Erycibe expansa originating in Thailand

Euphorbia boetica

1 reference

Steroids and a tetracyclic diterpene from Euphorbia boetica

Euphorbia macroclada

1 reference

Chemistry and biological activity of secondary metabolites in Euphorbia from Iran

Ferula persica

1 reference

Polar secondary metabolites of Ferula persica roots

Ficus septica

1 reference

Ficus spp. (fig): ethnobotany and potential as anticancer and anti-inflammatory agents

Garcinia griffithii

1 reference

Antiplasmodial and other constituents from four Indonesian Garcinia spp.

Great yellow gentian

1 reference

Studies on the constituents of Gentiana species. II. A new triterpenoid, and (S)-(+)- and (R)-(-)-gentiolactones from Gentiana lutea

Gnetum cleistostachyum

1 reference

Isolation and biomimetic synthesis of anti-inflammatory stilbenolignans from Gnetum cleistostachyum

Gnetum pendulum

1 reference

Stilbenoids from the lianas of Gnetum pendulum

Gonospermum elegans

1 reference

Sesquiterpenoid derivatives from Gonospermum elegans and their cytotoxic activity for HL-60 human promyelocytic cells.

Hedera nepalensis

1 reference

Studies on nepalese crude drugs. III. On the saponins of Hedera nepalensis K. Koch.

Hibiscus taiwanensis

1 reference

Constituents from the stems of Hibiscus taiwanensis.

Hydrangea chinensis

1 reference

Hydrachine A, a novel alkaloid from the roots of Hydrangea chinensis

Hyptis brevipes

1 reference

Bioactive 5,6-dihydro-alpha-pyrone derivatives from Hyptis brevipes

Duhaldea cappa

1 reference

Cytotoxic germacranolide sesquiterpene from Inula cappa

Inula racemosa

1 reference

Lignans and sesquiterpene lactones from Artemisia sieversiana and Inula racemosa

Dittrichia viscosa

1 reference

New sesquiterpenoids from the jordanian medicinal plant inula viscosa

Kadsura heteroclita

1 reference

Compounds from Kadsura heteroclita and related anti-HIV activity

Machilus zuihoensis

1 reference

Steryl epoxide, secobutanolide and butanolides from the stem wood of Machilus zuihoensis

Macrococculus pomiferus

1 reference

Constituents of the stems of Macrococculus pomiferus and their inhibitory activities against cyclooxygenases-1 and -2.

Magnolia obovata

1 reference

Two new lignans from the stem bark of Magnolia obovata and their cytotoxic activity

Melianthus major

1 reference

Queretaroic (30) caffeate and other constituents of Melianthus major

Flemingia macrophylla

1 reference

5,7,2′,4′-Tetrahydroxyisoflavone in Moghania macrophylla

Morinda citrifolia

1 reference

Chemical constituents of the fruits of Morinda citrifolia (Noni) and their antioxidant activity.

Morus insignis

1 reference

Two new 2-arylbenzofuran derivatives from hypoglycemic activity-bearing fractions of Morus insignis

Myrianthus arboreus

1 reference

Studies on Nigerian Medicinal Plants: Components of the Stems of Myrianthus arboreus

Newbouldia laevis

1 reference

Newbouldiaquinone and newbouldiamide: a new naphthoquinone-anthraquinone coupled pigment and a new ceramide from Newbouldia laevis

Nuxia sphaerocephala

1 reference

Clerodane and labdane diterpenoids from Nuxia sphaerocephala

Ophiorrhiza liukiuensis

1 reference

Camptothecins and two new monoterpene glucosides from Ophiorrhiza liukiuensis

Paeonia × suffruticosa

1 reference

Two novel compounds from Paeonia suffructicosa

Ipomoea nil

1 reference

Triterpenoid saponins from the seeds of Pharbitis nil.

Phyllanthus oligospermus

1 reference

Cytotoxic arylnaphthalene lignans from Phyllanthus oligospermus

Picramnia latifolia

1 reference

Anthrone and oxanthrone C-glycosides from Picramnia latifolia collected in Peru.

Piper nigrum

1 reference

New insecticidal amides from petroleum ether extract of dried Piper nigrum L. whole fruits

Piper umbellatum

1 reference

Bioactive aristolactams from Piper umbellatum

Psidium guajava

1 reference

Triterpenoids from the leaves of Psidium guajava

Psittacanthus cucullaris

1 reference

Glycoside primers of Psittacanthus cucullaris

Pteridium aquilinum

1 reference

Isolation of 5-hydroxypyrrolidin-2-one and other constituents from the young fronds of Pteridium aquilinum

Pteris multifida

1 reference

Chemical and biologically active constituents of Pteris multifida

Punica granatum

1 reference

Bioactive compounds from the seeds of Punica granatum (pomegranate).

Robinsonecio gerberifolius

1 reference

New oplopane and eremophilane derivatives from Robinsonecio gerberifolius

Salvia aethiopis

1 reference

Flavonoidal and other compounds of Salvia aethiopis

Saraca asoca

1 reference

Lignan glycosides and flavonoids from Saraca asoca with antioxidant activity

Clinopodium acinos

1 reference

Secondary Metabolites from Satureja Species. New Triterpenoid from Satureja acinos

Schnabelia tetradonta

1 reference

Chemical constituents of the aerial parts of Schnabelia tetradonta

Senecio chionophilus

1 reference

Constituents of Senecio chionophilus with potential antitubercular activity

Smilax china

1 reference

Steroidal saponins from Smilax china and their anti-inflammatory activities

Stenochlaena palustris

1 reference

Glycosides from Stenochlaena palustris

Swartzia brachyrachis

1 reference

Brachyrachisina: Isoflavona inédita se Swartzia (Leguminosae)

clove

1 reference

Crataegolsäure und steroidglukoside aus blütenknospen von Syzygium aromaticum

Taraxacum formosanum

1 reference

Chemical constituents of Taraxacum formosanum

Tetracentron sinense

1 reference

Two glycosides from the stem bark of Tetracentron sinense.

Verbena brasiliensis

1 reference

New iridoid glucosides from the aerial parts of Verbena brasiliensis

Gonzalezia decurrens

1 reference

Bioactive oleanolic acid saponins and other constituents from the roots of Viguiera decurrens.

Viguiera decurrens

1 reference

Bioactive oleanolic acid saponins and other constituents from the roots of Viguiera decurrens.

Viscum coloratum

1 reference

The inhibition of superoxide anion generation in human neutrophils by Viscum coloratum

Withania somnifera

1 reference

Withanolides from Withania somnifera roots

Xylocarpus granatum

1 reference

Polyhydroxylated phragmalins from the fruit of a Chinese mangrove, Xylocarpus granatum

Zanthoxylum armatum

1 reference

A new amide from zanthoxylum armatum

reversed clover

1 reference

Saponins and polar compounds from Trifolium resupinatum

Pelargonium reniforme

1 reference

Fascinating metabolic pools of Pelargonium sidoides and Pelargonium reniforme, traditional and phytomedicinal sources of the herbal medicine Umckaloabo

radish

1 reference

Deciphering the Nutraceutical Potential of -A Comprehensive Overview

Toxicodendron wallichii

1 reference

Chemical Constituents of Rhus wallichi

Zingiber officinale

2 references

Mechanism-based inhibition of CYP3A4 by constituents of Zingiber aromaticum

Metabolic Profiles of Ginger, A Functional Food, and Its Representative Pungent Compounds in Rats by Ultraperformance Liquid Chromatography Coupled with Quadrupole Time-of-Flight Tandem Mass Spectrometry.

Curculigo capitulata

1 reference

Norneolignan and phenols from Curculigo capitulata

Rourea minor

1 reference

Rourinoside and rouremin, antimalarial constituents from Rourea minor.

Chaenomeles japonica

1 reference

A new acylated triterpene from the roots of Chaenomeles japonica

Aristolochia heterophylla

1 reference

The constituents of the root and stem of Aristolochia heterophylla Hemsl

Canella winterana

1 reference

3β,9α-Dihydroxycinnamolide: A Further Novel Drimane Sesquiterpene from the Stem Bark of Canella winterana

Cinnamomum camphora

2 references

Chemistry of Leave Extractives from Cineole Tree

Lignans from the Stem of Cinnamomum camphora

Tribulus terrestris

1 reference

A novel furostanol saponin from Tribulus terrestris of Bulgarian origin

Lantana camara

1 reference

Pentacyclic triterpenoids from the aerial parts of Lantana camara.

Chamaecyparis formosensis

1 reference

Terpenes and lignans from leaves of Chamaecyparis formosensis

Millettia pinnata

1 reference

Isopongaglabol and 6-methoxyisopongaglabol, two new hydroxyfuranoflavones from Pongamia glabra

asparagus

1 reference

Steroidal saponins from roots of Asparagus officinalis

Solanum melongena

1 reference

Xanthine Oxidase Inhibitors from the Roots of Eggplant (Solanum MelongenaL.)

mandarin orange

1 reference

Discrimination of Citrus reticulata Blanco and Citrus reticulata 'Chachi' as well as the Citrus reticulata 'Chachi' within different storage years using ultra high performance liquid chromatography quadrupole/time-of-flight mass spectrometry based m

Taraxacum mongolicum

1 reference

Chemical constituents of Taraxacum formosanum

Ophiorrhiza kuroiwae

1 reference

Camptothecins and two new monoterpene glucosides from Ophiorrhiza liukiuensis

Citrus × deliciosa

1 reference

Discrimination of Citrus reticulata Blanco and Citrus reticulata 'Chachi' as well as the Citrus reticulata 'Chachi' within different storage years using ultra high performance liquid chromatography quadrupole/time-of-flight mass spectrometry based m

Syzygium sandwicense

1 reference

Constituents of Eugenia sandwicensis with potential cancer chemopreventive activity.

Pongamia pinnata

1 reference

Isopongaglabol and 6-methoxyisopongaglabol, two new hydroxyfuranoflavones from Pongamia glabra

Identifiers

InChI

InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29+,30-,31+,32-,33-,34+,35-/m1/s1

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InChIKey

NPJICTMALKLTFW-PYOHOBBFSA-N

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1 reference

17 September 2022