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CHEBI:34322 - 3,3-Difluoro-5alpha-androstan-17beta-yl acetate

ChEBI IDCHEBI:34322
ChEBI Name3,3-Difluoro-5alpha-androstan-17beta-yl acetate
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC21H32F2O2
Net Charge0
Average Mass354.481
Monoisotopic Mass354.23704
SMILES[H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@@H](OC(C)=O)CC[C@@]34[H])[C@@]1(C)CCC(F)(F)C2
InChIInChI=1S/C21H32F2O2/c1-13(24)25-18-7-6-16-15-5-4-14-12-21(22,23)11-10-19(14,2)17(15)8-9-20(16,18)3/h14-18H,4-12H2,1-3H3/t14-,15-,16-,17-,18-,19-,20-/m0/s1
InChIKeyBUIQHUBDLNDWCY-RBZZARIASA-N
ChEBI Ontology
Outgoing Relation(s)
3,3-Difluoro-5alpha-androstan-17beta-yl acetate (CHEBI:34322) is a steroid ester (CHEBI:47880)
Synonyms  Source
3,3-Difluoro-5alpha-androstan-17beta-yl acetateKEGG COMPOUND
3,3-Difluoroandrostane-17-ol acetateKEGG COMPOUND
Manual XrefsDatabases
C14477KEGG COMPOUND
Registry NumbersSources
CAS:1827-75-4KEGG COMPOUND