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CHEBI:17609 - cortisol 21-acetate

Default Structure
ChEBI IDCHEBI:17609
ChEBI Namecortisol 21-acetate
Stars
Secondary ChEBI IDsCHEBI:3894, CHEBI:14024, CHEBI:23394, CHEBI:58204
Last Modified7 February 2018
DownloadsMolfile
FormulaC23H32O6
Net Charge0
Average Mass404.503
Monoisotopic Mass404.21989
SMILES[H][C@@]12CC[C@](O)(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@@]21C
InChIInChI=1S/C23H32O6/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/h10,16-18,20,26,28H,4-9,11-12H2,1-3H3/t16-,17-,18-,20+,21-,22-,23-/m0/s1
InChIKeyALEXXDVDDISNDU-JZYPGELDSA-N
ChEBI Ontology
Outgoing Relation(s)
cortisol 21-acetate (CHEBI:17609) is a cortisol ester (CHEBI:23396)
cortisol 21-acetate (CHEBI:17609) is a tertiary α-hydroxy ketone (CHEBI:139592)
IUPAC Name 
11β,17-dihydroxy-3,20-dioxopregn-4-en-21-yl acetate
Synonyms  Source
21-O-acetylcortisolJCBN
CortellKEGG COMPOUND
Cortisol 21-acetateKEGG COMPOUND
cortisol acetateChEBI
hydrocortisone 21-acetateChEBI
Hydrocortisone acetateKEGG COMPOUND
UniProt Name  Source
cortisol 21-acetateUniProt
Manual XrefsDatabases
4213DrugCentral
C02821KEGG COMPOUND
C02821KEGG COMPOUND
D00165KEGG DRUG
DB00741DrugBank
LMST02030093LIPID MAPS
Registry NumbersSources
Beilstein:2066841Beilstein
CAS:50-03-3KEGG COMPOUND