(Q104395269)

English

(1R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-(prop-1-en-2-yl)-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

lupane

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mass

454.344695332 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bS)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1R,3aS,5aR,5bR,7aR,11aR,11bR,13aS,13bS)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₄₆O₃

0 references

canonical SMILES

O=C(O)C12CCC(C(=C)C)C2C3CCC4C5(C)CCC(=O)C(C)(C)C5CCC4(C)C3(C)CC1

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isomeric SMILES

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

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found in taxon

Orthopterygium

1 reference

stated in

3-oxo-6β-hydroxyolean-18-en-28-oic acid from orthopterygium huancuy

Ziziphus jujuba

1 reference

stated in

Studies on the constituents of Zizyphi fructus. II. Structure of new p-coumaroylates of maslinic acid.

Ficus microcarpa

1 reference

stated in

Cytotoxic triterpenes from the aerial roots of Ficus microcarpa.

Betula platyphylla

1 reference

stated in

Triterpenoids from the floral spikes of Betula platyphylla var. japonica and their reversing activity against multidrug-resistant cancer cells

Chisocheton macrophyllus

1 reference

stated in

Phytochemical Studies on Meliaceous Plants. VIII. Structures and Inhibitory Effects on Epstein-Barr Virus Activation of Triterpenoids from Leaves of Chisocheton macrophyllus King.

Eucalyptus tereticornis

1 reference

stated in

Triterpene esters from Eucalyptus tereticornis

Maytenus boaria

2 references

stated in

ChemInform Abstract: The Terpenoids of Maytenus boaria MOL. (Celastraceae).

stated in

The Terpenoids ofMaytenus boariaMOL.(Celastraceae)

Boronia inornata

1 reference

stated in

Terpenoids, alkaloids and coumarins from Boronia inornata and Boronia gracilipes

Boronia gracilipes

1 reference

stated in

Terpenoids, alkaloids and coumarins from Boronia inornata and Boronia gracilipes

Liquidambar styraciflua

1 reference

stated in

Insect-neuroactive substances in two species of the genus Liquidamber

Betula dahurica

1 reference

stated in

Chemical Evaluation of Betula Species in Japan. IV. Constituents of Betula davurica.

Betula schmidtii

1 reference

stated in

Chemical Evaluation of Betula Species in Japan. VI. Constituents of Betula schmidtii.

Duboisia myoporoides

2 references

stated in

8-Hydroxydotriacontan-30-one and other constituents from Duboisia myoporoides

stated in

8-Hydroxydotriacontan-30-one and other constituents from Duboisia myoporoides

Corymbia citriodora

2 references

stated in

The Chemical Constituents from the Heartwood ofEucalyptus Citriodora

stated in

The Chemical Constituents from the Heartwood ofEucalyptus Citriodora

Euonymus revolutus

2 references

stated in

Triterpenes from Euonymus revolutus

stated in

Triterpenes from Euonymus revolutus

Ozothamnus stirlingii

1 reference

stated in

Obliquin derivatives and other constituents from Australian Helichrysum species

Lantana camara

1 reference

stated in

Constituents from the Root of Lantana camara

Liquidambar formosana

1 reference

stated in

Antihepatotoxic principles of Sambucus formosana

Rhododendron barbatum

1 reference

stated in

Constituents of Rhododendron barbatum

Stauntonia hexaphylla

2 references

stated in

A phenolic glycoside and triterpenoids from Stauntonia hexaphylla

stated in

A phenolic glycoside and triterpenoids from Stauntonia hexaphylla

Vatica cinerea

3 references

stated in

Natural anti-HIV agents. Part IV. Anti-HIV constituents from Vatica cinerea.

stated in

Natural anti-HIV agents. Part IV. Anti-HIV constituents from Vatica cinerea.

stated in

Natural anti-HIV agents. Part IV. Anti-HIV constituents from Vatica cinerea.

Ixora coccinea

2 references

stated in

Ixorapeptide I and ixorapeptide II, bioactive peptides isolated from Ixora coccinea

stated in

Ixorapeptide I and ixorapeptide II, bioactive peptides isolated from Ixora coccinea

Millettia pinnata

1 reference

stated in

Natural therapeutic agents for neurodegenerative diseases from a traditional herbal medicine Pongamia pinnata (L.) Pierre.

Pongamia pinnata

1 reference

stated in

Natural therapeutic agents for neurodegenerative diseases from a traditional herbal medicine Pongamia pinnata (L.) Pierre.

Betula ermanii

1 reference

stated in

Cancer chemopreventive activity of oleanane-type triterpenoids from the stem bark of Betula ermanii.

Ceriops tagal

1 reference

stated in

Dammarane triterpenes from the hypocotyls and fruits of Ceriops tagal.

Dorstenia convexa

1 reference

stated in

Long-chain alkanoic acid esters of lupeol from Dorstenia harmsiana Engl. (Moraceae)

Nothofagus pumilio

1 reference

stated in

Insect antifeedant compounds from Nothofagus dombeyi and N. pumilio.

Monteverdia cuzcoina

2 references

stated in

Lupane triterpenoids from Maytenus species

stated in

Activity of lupane triterpenoids from Maytenus species as inhibitors of nitric oxide and prostaglandin E2.

Melaleuca leucadendra

1 reference

stated in

A New Norlupene from the Leaves of Melaleuca leucadendron

Rhus chinensis

1 reference

stated in

A new benzofuranone and anti-HIV constituents from the stems of Rhus chinensis

Brucea javanica

1 reference

stated in

Separation and Determination of Chemical Constituents in the Roots ofRhus JavanicaL. Var.Roxburghiana

Himalaiella deltoidea

1 reference

stated in

Secondary Metabolites from Saussurea deltoidea and Their Inhibitory Activity on Lipopolysaccharide-Induced Tumor Necrosis Factor Production

Symphyopappus compressus

1 reference

stated in

Thirteen kolavane derivatives from Symphyopappus species

Viscum coloratum

2 references

stated in

Cytotoxic constituents from Viscum coloratum

stated in

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

Lipschitziella deltoidea

1 reference

stated in

Secondary Metabolites from Saussurea deltoidea and Their Inhibitory Activity on Lipopolysaccharide-Induced Tumor Necrosis Factor Production

Senegalia mellifera

1 reference

stated in

Cytotoxic lupane-type triterpenoids from Acacia mellifera.

Ziziphus mauritiana

1 reference

stated in

Cytotoxic triterpenoids from the fruits of Zizyphus jujuba

Betula platyphylla var. japonica

1 reference

stated in

Triterpenoids from the floral spikes of Betula platyphylla var. japonica and their reversing activity against multidrug-resistant cancer cells

Identifiers

InChI

InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1

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InChIKey

SLJTWDNVZKIDAU-SVAFSPIFSA-N

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CAS Registry Number

4481-62-3

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

1 reference

17 September 2022

inferred from InChIKey

ChEBI ID

149955

mapping relation type

exact match

1 reference

stated in

ChEBI release 2021-03-01

1 reference

0 references

(Q104395269)

(1R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-(prop-1-en-2-yl)-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid

Statements

Identifiers

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