(Q105228974)

English

10-hydroxy-11-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid

group of stereoisomers with the chemical formula C₄₀H₅₆O₇

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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

1 reference

648.4026041320001 dalton

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based on heuristic

inferred from InChI

chemical formula

C₄₀H₅₆O₇

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canonical SMILES

O=C(OC1CC2(C)C(CCC3(C)C2CC=C4C5C(C)C(C)CCC5(C(=O)O)CCC43C)C(C)(C)C1O)C=CC6=CC=C(O)C(OC)=C6

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Identifiers

InChI

InChI=1S/C40H56O7/c1-23-15-18-40(35(44)45)20-19-38(6)26(33(40)24(23)2)11-13-31-37(5)22-29(34(43)36(3,4)30(37)16-17-39(31,38)7)47-32(42)14-10-25-9-12-27(41)28(21-25)46-8/h9-12,14,21,23-24,29-31,33-34,41,43H,13,15-20,22H2,1-8H3,(H,44,45)

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InChIKey

QVWRWMJXTWVRCW-UHFFFAOYSA-N

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PubChem CID

163034218

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

QVWRWMJXTWVRCW-UHFFFAOYSA-N

(Q105228974)

10-hydroxy-11-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid

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Identifiers

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