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CHEBI:174287 - 7-Dehydropregnenolone

ChEBI IDCHEBI:174287
ChEBI Name7-Dehydropregnenolone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H30O2
Net Charge0
Average Mass314.469
Monoisotopic Mass314.22458
SMILESCC(=O)C1CCC2C3=CC=C4C[C@@H](O)CC[C@]4(C)C3CC[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+/m0/s1
InChIKeyQTVNPWWLYMFLEI-IOHSXPNESA-N
ChEBI Ontology
Outgoing Relation(s)
7-Dehydropregnenolone (CHEBI:174287) is a 20-oxo steroid (CHEBI:36885)
IUPAC Name 
1-[(3S,10R,13S)-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
HMDB0013121HMDB