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(Q105307752)
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English
11-hydroxy-9-(hydroxymethyl)-10-[3-(4-hydroxyphenyl)prop-2-enoyloxy]-1,2,6a,6b,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 C₃₉H₅₄O₇
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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
634.8433
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₉H₅₄O₇
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canonical SMILES
O=C(OC1C(O)CC2(C)C(CCC3(C)C2CC=C4C5C(C)C(C)CCC5(C(=O)O)CCC43C)C1(C)CO)C=CC6=CC=C(O)C=C6
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Identifiers
InChI
InChI=1S/C39H54O7/c1-23-15-18-39(34(44)45)20-19-37(5)27(32(39)24(23)2)12-13-30-35(3)21-28(42)33(36(4,22-40)29(35)16-17-38(30,37)6)46-31(43)14-9-25-7-10-26(41)11-8-25/h7-12,14,23-24,28-30,32-33,40-42H,13,15-22H2,1-6H3,(H,44,45)
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InChIKey
WKVZBLIEJQJTCN-UHFFFAOYSA-N
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PubChem CID
85052452
1 reference
based on heuristic
inferred from InChIKey
UniChem compound ID
90479557
1 reference
stated in
UniChem
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