(Q104389627)

English

(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-1-(3-hydroxyprop-1-en-2-yl)-3a,5a,5b,8,8,11a-hexamethyl-hexadecahydrocyclopenta[a]chrysen-9-ol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

1-(3-Hydroxyprop-1-en-2-yl)-3a,5a,5b,8,8,11a-hexamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol

1 reference

based on heuristic

inferred from SMILES

(3aR,5aR,5bR,7aR,11aR,11bR,13aS,13bS)-1-(3-hydroxyprop-1-en-2-yl)-3a,5a,5b,8,8,11a-hexamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol

1 reference

based on heuristic

inferred from SMILES

mass

442.38108084 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

Lupa-20(30)-ene-3alpha,29-diol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-1-(3-hydroxyprop-1-en-2-yl)-3a,5a,5b,8,8,11a-hexamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₀H₅₀O₂

0 references

canonical SMILES

OCC(=C)C1CCC2(C)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12

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isomeric SMILES

C=C(CO)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12

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found in taxon

Coccinia grandis

1 reference

stated in

7-Oxodihydrokarounidiol-3-benzoate and other triterpenes from the seeds of cucurbitaceae

Trichosanthes dioica

1 reference

stated in

7-Oxodihydrokarounidiol-3-benzoate and other triterpenes from the seeds of cucurbitaceae

Trichosanthes cucumeroides

1 reference

stated in

7-Oxodihydrokarounidiol-3-benzoate and other triterpenes from the seeds of cucurbitaceae

Microtropis fokienensis

3 references

stated in

Lupane-type triterpenoids from Microtropis fokienensis and Perrottetia arisanensis and the apoptotic effect of 28-hydroxy-3-oxo-lup-20(29)-en-30-al

stated in

Cytotoxic triterpenoids from the leaves of Microtropis fokienensis

stated in

Cytotoxic triterpenoids from the leaves of Microtropis fokienensis

Perrottetia arisanensis

1 reference

stated in

Lupane-type triterpenoids from Microtropis fokienensis and Perrottetia arisanensis and the apoptotic effect of 28-hydroxy-3-oxo-lup-20(29)-en-30-al

Elaeodendron croceum

1 reference

stated in

Flavanoids and triterpenoids from Cassine papillosa and the absolute configuration of 11,11-dimethyl-1,3,8,10-tetra-hydroxy-9-methoxypeltogynan

Gymnema sylvestre

1 reference

stated in

Triterpenes from Gymnema sylvestre growing in China

Lychnophora pseudovillosissima

1 reference

stated in

Sesquiterpene lactones, triterpenes and flavones from Lychnophora ericoides and Lychnophora pseudovillosissima

Lychnophora rupestris

1 reference

stated in

Eremantholides and a guaianolide from Lychnophora rupestris

Cassipourea madagascariensis

2 references

stated in

Cytotoxic diterpenes from Cassipourea madagascariensis from the Madagascar rainforest.

stated in

Cytotoxic diterpenes from Cassipourea madagascariensis from the Madagascar rainforest.

Lydenburgia cassinoides

1 reference

stated in

Three triterpenes and other terpenoids from Catha cassinoides

Celastrus hypoleucus

1 reference

stated in

Novel skeleton terpenes from Celastrus hypoleucus with anti-tumor activities.

Ceriops decandra

1 reference

stated in

Lupane-Triterpene Esters from the Leaves of Ceriops decandra (Griff.) Ding Hou

Cratoxylum arborescens

1 reference

stated in

Anti-HIV-1 constituents from leaves and twigs of Cratoxylum arborescens

Cyclolepis genistoides

1 reference

stated in

Triterpenes and sesquiterpene lactones from Cyclolepis genistoides

Daphne oleoides

1 reference

stated in

A pentacyclic triterpene from Daphne oleoides

Euphorbia chamaesyce

1 reference

stated in

Bioactive steroids from the whole herb of Euphorbia chamaesyce

Euphorbia humifusa

1 reference

stated in

Triterpenoids and other Constituents fromEuphorbia Humifusa

Flourensia heterolepis

1 reference

stated in

Neue sesquiterpene, triterpene, flavanone und andere aromatische verbindungen aus Flourensia heterolepis

Lawsonia inermis

1 reference

stated in

Isolation of dihydroxylupene and dihydroxylupane from the bark of Lawsonia inermis

Maerua oblongifolia

1 reference

stated in

A lupane triterpenoid from Maerua oblongifolia

Monteverdia imbricata

1 reference

stated in

Lupane Pentacyclic Triterpenes Isolated from Stems and Branches ofMaytenus imbricata (Celastraceae)

Monteverdia rigida

1 reference

stated in

Effects of triterpene derivatives from Maytenus rigida on VEGF-induced Kaposi's sarcoma cell proliferation.

Nuxia sphaerocephala

1 reference

stated in

Clerodane and labdane diterpenoids from Nuxia sphaerocephala

Salacia chinensis

1 reference

stated in

The absolute stereostructures of three rare D:B-friedobaccharane skeleton triterpenes from the leaves of Salacia chinensis

Tolpis webbii

1 reference

stated in

Chemical constituents of Tolpis species

Senegalia mellifera

1 reference

stated in

Lupane triterpenoids from Acacia mellifera with cytotoxic activity

Mallotus apelta

1 reference

stated in

Pentacyclic triterpenoids from Mallotus apelta

Elaeodendron papillosum

1 reference

stated in

Flavanoids and triterpenoids from Cassine papillosa and the absolute configuration of 11,11-dimethyl-1,3,8,10-tetra-hydroxy-9-methoxypeltogynan

Euonymus carnosus

1 reference

stated in

Lupane triterpenoids from the stems of Euonymus carnosus

Elaeodendron xylocarpum

1 reference

stated in

Isolation, Structural Modification, and HIV Inhibition of Pentacyclic Lupane-Type Triterpenoids from Cassine xylocarpa and Maytenus cuzcoina.

Identifiers

InChI

InChI=1S/C30H50O2/c1-19(18-31)20-10-13-27(4)16-17-29(6)21(25(20)27)8-9-23-28(5)14-12-24(32)26(2,3)22(28)11-15-30(23,29)7/h20-25,31-32H,1,8-18H2,2-7H3/t20-,21+,22-,23+,24-,25+,27+,28-,29+,30+/m0/s1

0 references

InChIKey

ZNUAKACHFYTNFX-QGTGJCAVSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q104389627)

(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-1-(3-hydroxyprop-1-en-2-yl)-3a,5a,5b,8,8,11a-hexamethyl-hexadecahydrocyclopenta[a]chrysen-9-ol

Statements

Identifiers

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