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(Q105245079)
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English
1,3,10-Trihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
group of stereoisomers with the chemical formula C₃₀H₄₈O₆
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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
504.3450892559998
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₃₀H₄₈O₆
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canonical SMILES
O=C(O)C12CCC3(C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C(O)(C)C(C)C(O)C1)C
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Identifiers
InChI
InChI=1S/C30H48O6/c1-17-19(32)15-30(24(34)35)14-13-27(4)18(23(30)29(17,6)36)7-8-21-25(2)11-10-22(33)26(3,16-31)20(25)9-12-28(21,27)5/h7,17,19-23,31-33,36H,8-16H2,1-6H3,(H,34,35)
0 references
InChIKey
RTCXNXLMBFLHEH-UHFFFAOYSA-N
0 references
PubChem CID
163065636
1 reference
based on heuristic
inferred from InChIKey
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