(Q105193303)

English

(10S)-10-hydroxy-1,2,6b,9,9,12a-hexamethyl-2,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydro-1H-picene-4a,6a-dicarboxylic acid

group of stereoisomers with the chemical formula C₃₀H₄₆O₅

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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

mass

486.33452457199996 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₀H₄₆O₅

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canonical SMILES

O=C(O)C12C(=CCC3C4(C)CCC(O)C(C)(C)C4CCC31C)C5C(C)C(C)CCC5(C(=O)O)CC2

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isomeric SMILES

CC1CCC2(C(=O)O)CCC3(C(=O)O)C(=CCC4C5(C)CC[C@H](O)C(C)(C)C5CCC43C)C2C1C

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Identifiers

InChI

InChI=1S/C30H46O5/c1-17-9-14-29(24(32)33)15-16-30(25(34)35)19(23(29)18(17)2)7-8-21-27(5)12-11-22(31)26(3,4)20(27)10-13-28(21,30)6/h7,17-18,20-23,31H,8-16H2,1-6H3,(H,32,33)(H,34,35)/t17?,18?,20?,21?,22-,23?,27?,28?,29?,30?/m0/s1

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InChIKey

OJUYFGQEMPENCE-FFZUHDGSSA-N

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PubChem CID

5320869

1 reference

matched by identifier from

InChIKey

OJUYFGQEMPENCE-FFZUHDGSSA-N

(Q105193303)

(10S)-10-hydroxy-1,2,6b,9,9,12a-hexamethyl-2,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydro-1H-picene-4a,6a-dicarboxylic acid

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