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CHEBI:79546 - 19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate

ChEBI IDCHEBI:79546
ChEBI Name19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate
Stars
DownloadsMolfile
FormulaC21H29ClO3
Net Charge0
Average Mass364.913
Monoisotopic Mass364.18052
SMILES[H][C@@]12CC=C3C[C@@H](OC(C)=O)CC[C@]3(CCl)[C@@]1([H])CC[C@]1(C)C(=O)CC[C@@]21[H]
InChIInChI=1S/C21H29ClO3/c1-13(23)25-15-7-10-21(12-22)14(11-15)3-4-16-17-5-6-19(24)20(17,2)9-8-18(16)21/h3,15-18H,4-12H2,1-2H3/t15-,16-,17-,18-,20-,21+/m0/s1
InChIKeySIBJPHIFXVTUQA-JPRZGNOKSA-N
ChEBI Ontology
Outgoing Relation(s)
19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate (CHEBI:79546) is a steroid ester (CHEBI:47880)
Manual XrefsDatabases
C15023KEGG COMPOUND