(Q104944969)

English

10-hydroxy-6a-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxymethyl]-1,2,6b,9,9,12a-hexamethyl-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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instance of

group of stereoisomers

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subclass of

taraxastane / ursane triterpenoid

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inferred from

taraxastane / ursane triterpenoid

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648.4026041320001 dalton

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based on heuristic

inferred from InChI

chemical formula

C₄₀H₅₆O₇

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canonical SMILES

O=C(OCC12C(=CCC3C4(C)CCC(O)C(C)(C)C4CCC31C)C5C(C)C(C)CCC5(C(=O)O)CC2)C=CC6=CC=C(O)C(OC)=C6

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Identifiers

InChI

InChI=1S/C40H56O7/c1-24-14-19-39(35(44)45)20-21-40(23-47-33(43)13-9-26-8-11-28(41)29(22-26)46-7)27(34(39)25(24)2)10-12-31-37(5)17-16-32(42)36(3,4)30(37)15-18-38(31,40)6/h8-11,13,22,24-25,30-32,34,41-42H,12,14-21,23H2,1-7H3,(H,44,45)

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InChIKey

BRRFDRKIGYRDOD-UHFFFAOYSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

BRRFDRKIGYRDOD-UHFFFAOYSA-N

1 reference

(Q104944969)

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

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