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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:17609 - cortisol 21-acetate
Main
ChEBI Ontology
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ChEBI Name
cortisol 21-acetate
ChEBI ID
CHEBI:17609
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:3894, CHEBI:14024, CHEBI:23394, CHEBI:58204
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Formula
C23H32O6
Net Charge
0
Average Mass
404.49660
Monoisotopic Mass
404.21989
InChI
InChI=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
InChIKey
ALEXXDVDDISNDU-JZYPGELDSA-N
SMILES
[H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])[C@@H](O)C[C@@]1(C)[C@@]2([H])CC[C@]1(O)C(=O)COC(C)=O
ChEBI Ontology
Outgoing
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
Sources
21-
O
-acetylcortisol
JCBN
Cortell
KEGG COMPOUND
Cortisol 21-acetate
KEGG COMPOUND
cortisol 21-acetate
UniProt
cortisol acetate
ChEBI
hydrocortisone 21-acetate
ChEBI
Hydrocortisone acetate
KEGG COMPOUND
Manual Xrefs
Databases
4213
DrugCentral
C02821
KEGG COMPOUND
D00165
KEGG DRUG
DB00741
DrugBank
LMST02030093
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
2066841
Beilstein Registry Number
Beilstein
50-03-3
CAS Registry Number
KEGG COMPOUND
Last Modified
07 February 2018