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CHEBI:166777 - 3-Acetoxypregn-16-en-12,20-dione

ChEBI IDCHEBI:166777
ChEBI Name3-Acetoxypregn-16-en-12,20-dione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H32O4
Net Charge0
Average Mass372.505
Monoisotopic Mass372.23006
SMILES[H][C@@]12CCC3CC(OC(C)=O)CC[C@]3(C)[C@@]1([H])CC(=O)[C@]1(C)C(C(C)=O)=CC[C@]12[H]
InChIInChI=1S/C23H32O4/c1-13(24)18-7-8-19-17-6-5-15-11-16(27-14(2)25)9-10-22(15,3)20(17)12-21(26)23(18,19)4/h7,15-17,19-20H,5-6,8-12H2,1-4H3/t15?,16?,17-,19-,20-,22-,23+/m0/s1
InChIKeyMPXJSJVWSXWSNI-QWCSTTASSA-N
ChEBI Ontology
Outgoing Relation(s)
3-Acetoxypregn-16-en-12,20-dione (CHEBI:166777) is a steroid ester (CHEBI:47880)
IUPAC Name 
[(8R,9S,10S,13S,14S)-17-acetyl-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate