CHEBI:81713 - Osaterone acetate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Osaterone acetate
ChEBI ID CHEBI:81713
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C22H27ClO5
Net Charge 0
Average Mass 406.90000
Monoisotopic Mass 406.15470
InChI InChI=1S/C22H27ClO5/c1-12(24)22(28-13(2)25)8-6-16-14-9-18(23)17-10-19(26)27-11-20(17,3)15(14)5-7-21(16,22)4/h9-10,14-16H,5-8,11H2,1-4H3/t14-,15+,16+,20-,21+,22+/m1/s1
InChIKey KKTIOMQDFOYCEN-OFUYBIASSA-N
SMILES CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)OC[C@]4(C)[C@H]3CC[C@]12C)C(C)=O
ChEBI Ontology
Outgoing Osaterone acetate (CHEBI:81713) is a 20-oxo steroid (CHEBI:36885)
Manual Xrefs Databases
1905 VSDB
C18375 KEGG COMPOUND
View more database links
Registry Number Type Source
105149-00-6 CAS Registry Number KEGG COMPOUND