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(Q105113851)
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English
[10,13-dimethyl-17-(6-methylhept-3-en-2-yl)-2,3-disulfooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-6-yl] hydrogen sulfate
group of stereoisomers with the chemical formula C₂₇H₄₆O₁₂S₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
cholestane steroid
1 reference
inferred from
cholestane steroid
mass
658.2151399119998
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₇H₄₆O₁₂S₃
0 references
canonical SMILES
O=S(=O)(O)OC1CC2C(OS(=O)(=O)O)CC3C4CCC(C(C=CCC(C)C)C)C4(C)CCC3C2(C)CC1OS(=O)(=O)O
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Identifiers
InChI
InChI=1S/C27H46O12S3/c1-16(2)7-6-8-17(3)19-9-10-20-18-13-23(37-40(28,29)30)22-14-24(38-41(31,32)33)25(39-42(34,35)36)15-27(22,5)21(18)11-12-26(19,20)4/h6,8,16-25H,7,9-15H2,1-5H3,(H,28,29,30)(H,31,32,33)(H,34,35,36)
0 references
InChIKey
IIZURXGMQVVTPL-UHFFFAOYSA-N
0 references
PubChem CID
163056071
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
IIZURXGMQVVTPL-UHFFFAOYSA-N
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