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(Q105169667)
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English
2-[4-(acetyloxy)-8-(benzoyloxy)-1-(cyanomethyl)-6-ethenyl-4a-hydroxy-1,6-dimethyl-5-oxo-hexahydronaphthalen-2-yl]-2-methylpropanoic acid
group of stereoisomers with the chemical formula C₂₉H₃₅NO₈
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Statements
instance of
group of stereoisomers
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subclass of
chemical compound
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mass
525.2362670799998
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₉H₃₅NO₈
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canonical SMILES
N#CCC1(C)C(CC(OC(=O)C)C2(O)C(=O)C(C=C)(C)CC(OC(=O)C=3C=CC=CC3)C21)C(C(=O)O)(C)C
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Identifiers
InChI
InChI=1S/C29H35NO8/c1-7-27(5)16-19(38-23(32)18-11-9-8-10-12-18)22-28(6,13-14-30)20(26(3,4)25(34)35)15-21(37-17(2)31)29(22,36)24(27)33/h7-12,19-22,36H,1,13,15-16H2,2-6H3,(H,34,35)
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InChIKey
MPPSSZWVJZPPHO-UHFFFAOYSA-N
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PubChem CID
73198144
1 reference
matched by identifier from
InChIKey
InChIKey
MPPSSZWVJZPPHO-UHFFFAOYSA-N
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