(Q105150617)

English

3-[(3S,3aR,5aR,6S,7S,9aR,9bR)-6,9a,9b-trimethyl-3-[(2S)-2-methyl-5-oxooxolan-2-yl]-7-(prop-1-en-2-yl)-decahydrocyclopenta[a]naphthalen-6-yl]propanoic acid

chemical compound

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instance of

type of chemical entity

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subclass of

3-[(3aS,5aR,6S,9aR,9bR)-6,9a,9b-trimethyl-3-[(2S)-2-methyl-5-oxooxolan-2-yl]-7-prop-1-en-2-yl-1,2,3,3a,4,5,5a,7,8,9-decahydrocyclopenta[a]naphthalen-6-yl]propanoic acid

1 reference

based on heuristic

inferred from SMILES

3-[6,9a,9b-Trimethyl-3-(2-methyl-5-oxooxolan-2-yl)-7-prop-1-en-2-yl-1,2,3,3a,4,5,5a,7,8,9-decahydrocyclopenta[a]naphthalen-6-yl]propanoic acid

1 reference

based on heuristic

inferred from SMILES

mass

430.308309824 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₇H₄₂O₄

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canonical SMILES

O=C(O)CCC1(C)C(C(=C)C)CCC2(C)C1CCC3C(CCC32C)C4(OC(=O)CC4)C

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isomeric SMILES

C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@@H]([C@]4(C)CCC(=O)O4)CC[C@]32C)[C@@]1(C)CCC(=O)O

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found in taxon

Cabralea canjerana

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stated in

Dammarane triterpenes from Cabralea canjerana (Vell.) Mart. (Meliaceae): Their chemosystematic significance

Aglaia erythrosperma

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stated in

Biologically active constituents of Aglaia erythrosperma

Aglaia perviridis

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stated in

Chemical constituents from the leaves of Aglaia perviridis.

Aglaia lawii

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stated in

Dammarane Triterpenoids from Amoora yunnanensis

Dysoxylum mollissimum

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stated in

Dammarane triterpenoids from dysoxylum richii

Dysoxylum binectariferum

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stated in

Cytotoxic dammarane-type triterpenoids from the stem bark of Dysoxylum binecteriferum.

Dysoxylum ficiforme

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stated in

Cytotoxic dammarane-type triterpenoids from the stem bark of Dysoxylum binecteriferum.

Dysoxylum gotadhora

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stated in

Cytotoxic dammarane-type triterpenoids from the stem bark of Dysoxylum binecteriferum.

Dysoxylum cauliflorum

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stated in

A triterpenoid with a novel abeo-dammarane skeleton from Dysoxylum cauliflorum

Identifiers

InChI

InChI=1S/C27H42O4/c1-17(2)18-9-15-26(5)21(24(18,3)13-11-22(28)29)8-7-19-20(10-14-25(19,26)4)27(6)16-12-23(30)31-27/h18-21H,1,7-16H2,2-6H3,(H,28,29)/t18-,19+,20-,21+,24-,25+,26+,27-/m0/s1

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InChIKey

LEKUPXHLKIIVCR-FAKJQIDCSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LEKUPXHLKIIVCR-FAKJQIDCSA-N

1 reference

(Q105150617)

3-[(3S,3aR,5aR,6S,7S,9aR,9bR)-6,9a,9b-trimethyl-3-[(2S)-2-methyl-5-oxooxolan-2-yl]-7-(prop-1-en-2-yl)-decahydrocyclopenta[a]naphthalen-6-yl]propanoic acid

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Identifiers

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