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CHEBI:195459 - 3-hydroxypregnane-5,7-dien-20-one

ChEBI IDCHEBI:195459
ChEBI Name3-hydroxypregnane-5,7-dien-20-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H30O2
Net Charge0
Average Mass314.469
Monoisotopic Mass314.22458
SMILES[H][C@]12CC[C@]3(C)[C@@H](C(C)=O)CC[C@@]3([H])C1=CC=C1CC(O)CC[C@@]12C
InChIInChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4-5,15,17-19,23H,6-12H2,1-3H3/t15?,17-,18+,19+,20+,21-/m1/s1
InChIKeyQTVNPWWLYMFLEI-JOHQXWBISA-N
ChEBI Ontology
Outgoing Relation(s)
3-hydroxypregnane-5,7-dien-20-one (CHEBI:195459) is a 20-oxo steroid (CHEBI:36885)
IUPAC Name 
1-[(9S,10R,13S,14R,17S)-3-hydroxy-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
Manual XrefsDatabases
19974708ChemSpider