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(Q105036485)
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English
11-Hydroxy-2,4a,6a,6a,9,14a-hexamethyl-10-oxo-1,3,4,5,6,6b,7,8,11,12,12a,13,14,14b-tetradecahydropicene-2-carboxylic acid
group of stereoisomers with the chemical formula C₂₉H₄₄O₄
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Statements
instance of
group of stereoisomers
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subclass of
chemical compound
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mass
456.3239598879999
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₉H₄₄O₄
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canonical SMILES
O=C(O)C1(C)CCC2(C)CCC3(C)C4CCC5=C(C(=O)C(O)CC5C4(C)CCC3(C)C2C1)C
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Identifiers
InChI
InChI=1S/C29H44O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h19-22,30H,7-16H2,1-6H3,(H,32,33)
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InChIKey
IBFPFYPZOPHYKC-UHFFFAOYSA-N
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PubChem CID
85096471
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
IBFPFYPZOPHYKC-UHFFFAOYSA-N
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