CHEBI:79481 - 3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one
ChEBI ID CHEBI:79481
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/c1-12(23)25-13-4-5-16-14-8-9-20(2)17(6-7-19(20)24)15(14)10-18(22)21(16,3)11-13/h13,15,17-18H,4-11H2,1-3H3/t13-,15+,17-,18+,20-,21+/m0/s1
InChIKey CLXNUVCBDCPVIW-DROYVCBLSA-N
SMILES CC(=O)O[C@H]1CCC2=C3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3C[C@@H](Cl)[C@]2(C)C1
ChEBI Ontology
Outgoing 3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one (CHEBI:79481) is a steroid ester (CHEBI:47880)
Manual Xref Database
C14957 KEGG COMPOUND
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