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(Q105023057)
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English
11-hydroxy-8a-(hydroxymethyl)-4,4a,6a,6b,11,14a-hexamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one
group of stereoisomers with the chemical formula C₂₉H₄₈O₃
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Statements
instance of
group of stereoisomers
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subclass of
chemical compound
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mass
444.6907
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₉H₄₈O₃
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canonical SMILES
O=C1CCC2C(C)(CCC3C2(C)CCC4(C)C5CC(O)(C)CCC5(CO)CCC34C)C1C
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Identifiers
InChI
InChI=1S/C29H48O3/c1-19-20(31)7-8-21-25(19,3)10-9-22-26(21,4)12-13-28(6)23-17-24(2,32)11-15-29(23,18-30)16-14-27(22,28)5/h19,21-23,30,32H,7-18H2,1-6H3
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InChIKey
GXGBLBFUBDIUOT-UHFFFAOYSA-N
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PubChem CID
162868361
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