(Q104888644)

English

3-(Acetyloxy)-4,6a,6b,8a,11,12,14b-heptamethyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4-carboxylic acid

group of stereoisomers with the chemical formula C₃₂H₄₈O₅

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Statements

instance of

group of stereoisomers

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subclass of

taraxastane / ursane triterpenoid

1 reference

inferred from

taraxastane / ursane triterpenoid

mass

512.350174636 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₄₈O₅

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canonical SMILES

O=C(OC1CCC2(C)C3C(=O)C=C4C5C(C)C(C)CCC5(C)CCC4(C)C3(C)CCC2C1(C(=O)O)C)C

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found in taxon

Boswellia carteri

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stated in

Two new triterpenoids from the resin of Boswellia carterii

stated in

Cancer chemopreventive effects and cytotoxic activities of the triterpene acids from the resin of Boswellia carteri

Boswellia sacra

1 reference

stated in

Cancer chemopreventive effects and cytotoxic activities of the triterpene acids from the resin of Boswellia carteri

Identifiers

InChI

InChI=1S/C32H48O5/c1-18-9-12-28(4)15-16-30(6)21(25(28)19(18)2)17-22(34)26-29(5)13-11-24(37-20(3)33)32(8,27(35)36)23(29)10-14-31(26,30)7/h17-19,23-26H,9-16H2,1-8H3,(H,35,36)

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InChIKey

HMMGKOVEOFBCAU-UHFFFAOYSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

HMMGKOVEOFBCAU-UHFFFAOYSA-N

1 reference

Human Metabolome Database ID

HMDB0245953

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

HMMGKOVEOFBCAU-UHFFFAOYSA-N

Probes And Drugs ID

PD087577

0 references

(Q104888644)

3-(Acetyloxy)-4,6a,6b,8a,11,12,14b-heptamethyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4-carboxylic acid

Statements

Identifiers

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