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CHEBI:34930 - Pregnenolone acetate

ChEBI IDCHEBI:34930
ChEBI NamePregnenolone acetate
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC23H34O3
Net Charge0
Average Mass358.522
Monoisotopic Mass358.25079
SMILES[H][C@@]12CC=C3C[C@@H](OC(C)=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@H](C(C)=O)CC[C@@]21[H]
InChIInChI=1S/C23H34O3/c1-14(24)19-7-8-20-18-6-5-16-13-17(26-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h5,17-21H,6-13H2,1-4H3/t17-,18-,19+,20-,21-,22-,23+/m0/s1
InChIKeyCRRKVZVYZQXICQ-RJJCNJEVSA-N
ChEBI Ontology
Outgoing Relation(s)
Pregnenolone acetate (CHEBI:34930) is a steroid ester (CHEBI:47880)
Synonyms  Source
Pregnenolone acetateKEGG COMPOUND
3beta-Hydroxypregn-5-en-20-one acetateKEGG COMPOUND
Manual XrefsDatabases
C14658KEGG COMPOUND
Registry NumbersSources
CAS:1778-02-5KEGG COMPOUND