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(Q104957735)
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English
9a,11a-dimethyl-1-(6-methylheptan-2-yl)-1H,2H,3H,3aH,5H,6H,7H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthrene-5,5a,7-triol
group of stereoisomers with the chemical formula C₂₇H₄₆O₃
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Statements
instance of
group of stereoisomers
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subclass of
cholestane steroid
1 reference
inferred from
cholestane steroid
mass
418.3446953319999
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₇H₄₆O₃
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canonical SMILES
OC1C=C2C3CCC(C(C)CCCC(C)C)C3(C)CCC2C4(C)CCC(O)CC14O
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Identifiers
InChI
InChI=1S/C27H46O3/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24(29)27(30)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h15,17-19,21-24,28-30H,6-14,16H2,1-5H3
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InChIKey
CGIQOEIJAPKYHG-UHFFFAOYSA-N
0 references
PubChem CID
13988157
1 reference
based on heuristic
inferred from InChIKey
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