(Q104958256)

English

9-[3-(3,4-Dihydroxyphenyl)prop-2-enoyloxymethyl]-10-hydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

group of stereoisomers with the chemical formula C₃₉H₅₄O₇

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instance of

group of stereoisomers

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subclass of

oleanane triterpenoid

1 reference

inferred from

oleanane triterpenoid

1 reference

634.3869540680001 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₉H₅₄O₇

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canonical SMILES

O=C(OCC1(C)C(O)CCC2(C)C1CCC3(C)C2CC=C4C5CC(C)(C)CCC5(C(=O)O)CCC43C)C=CC6=CC=C(O)C(O)=C6

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Identifiers

InChI

InChI=1S/C39H54O7/c1-34(2)17-19-39(33(44)45)20-18-37(5)25(26(39)22-34)9-11-30-35(3)15-14-31(42)36(4,29(35)13-16-38(30,37)6)23-46-32(43)12-8-24-7-10-27(40)28(41)21-24/h7-10,12,21,26,29-31,40-42H,11,13-20,22-23H2,1-6H3,(H,44,45)

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InChIKey

CGUVDUJUXIATLL-UHFFFAOYSA-N

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PubChem CID

85083808

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

CGUVDUJUXIATLL-UHFFFAOYSA-N

(Q104958256)

9-[3-(3,4-Dihydroxyphenyl)prop-2-enoyloxymethyl]-10-hydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

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