CHEBI:34655 - cortancyl

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name cortancyl
ChEBI ID CHEBI:34655
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C23H28O6
Net Charge 0
Average Mass 400.46480
Monoisotopic Mass 400.18859
InChI InChI=1S/C23H28O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h6,8,10,16-17,20,28H,4-5,7,9,11-12H2,1-3H3/t16-,17-,20+,21-,22-,23-/m0/s1
InChIKey MOVRKLZUVNCBIP-RFZYENFJSA-N
SMILES CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]12C
ChEBI Ontology
Outgoing cortancyl (CHEBI:34655) has functional parent prednisone (CHEBI:8382)
cortancyl (CHEBI:34655) is a 11-oxo steroid (CHEBI:47787)
cortancyl (CHEBI:34655) is a 17α-hydroxy steroid (CHEBI:35342)
cortancyl (CHEBI:34655) is a 20-oxo steroid (CHEBI:36885)
cortancyl (CHEBI:34655) is a 3-oxo-Δ1,Δ4-steroid (CHEBI:77166)
cortancyl (CHEBI:34655) is a acetate ester (CHEBI:47622)
cortancyl (CHEBI:34655) is a steroid ester (CHEBI:47880)
cortancyl (CHEBI:34655) is a tertiary α-hydroxy ketone (CHEBI:139592)
IUPAC Name
17-hydroxy-3,11,20-trioxopregna-1,4-dien-21-yl acetate
Synonyms Sources
1,4-Pregnadien-17α,21-diol-3,11,20-trione-21-acetate ChemIDplus
21-Acetoxy-17alpha-hydroxypregna-1,4-diene-3,11,20-trione KEGG COMPOUND
Cortancyl KEGG COMPOUND
delta'-Dehydrocortisone acetate ChemIDplus
delta1-Cortisone-21-acetate ChemIDplus
Prednisone 21-acetate KEGG COMPOUND
Manual Xrefs Databases
C14668 KEGG COMPOUND
D08416 KEGG DRUG
DB00635 DrugBank
View more database links
Registry Numbers Types Sources
125-10-0 CAS Registry Number ChemIDplus
2342061 Beilstein Registry Number Beilstein
Last Modified
07 February 2018