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CHEBI:166790 - 7-Oxo-cholestenone

ChEBI IDCHEBI:166790
ChEBI Name7-Oxo-cholestenone
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SubmitterMetaboLights
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FormulaC27H42O2
Net Charge0
Average Mass398.631
Monoisotopic Mass398.31848
SMILES[H][C@]12CC[C@@]3(C)[C@@]([H])(CC[C@]3([H])[C@H](C)CCCC(C)C)[C@]1([H])C(=O)C=C1CC(=O)CC[C@@]12C
InChIInChI=1S/C27H42O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,21-23,25H,6-15H2,1-5H3/t18-,21-,22+,23+,25+,26+,27-/m1/s1
InChIKeySQPQMCUHNOULQL-KRQCSNJGSA-N
ChEBI Ontology
Outgoing Relation(s)
7-Oxo-cholestenone (CHEBI:166790) is a cholestanoid (CHEBI:50401)
IUPAC Name 
(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,4,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,7-dione
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