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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate
ChEBI ID CHEBI:79546
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C21H29ClO3
Net Charge 0
Average Mass 364.90600
Monoisotopic Mass 364.18052
InChI InChI=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
InChIKey SIBJPHIFXVTUQA-JPRZGNOKSA-N
SMILES CC(=O)O[C@H]1CC[C@]2(CCl)[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CC=C2C1
ChEBI Ontology
Outgoing 19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate (CHEBI:79546) is a steroid ester (CHEBI:47880)
Manual Xref Database
C15023 KEGG COMPOUND
View more database links