CHEBI:31674 - cortisol 17-butyrate

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ChEBI Name cortisol 17-butyrate
ChEBI ID CHEBI:31674
Definition Cortisol esterified with butyric acid at the 17-hydroxy group.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C25H36O6
Net Charge 0
Average Mass 432.54974
Monoisotopic Mass 432.251
InChI InChI=1S/C25H36O6/c1-4-5-21(30)31-25(20(29)14-26)11-9-18-17-7-6-15-12-16(27)8-10-23(15,2)22(17)19(28)13-24(18,25)3/h12,17-19,22,26,28H,4-11,13-14H2,1-3H3/t17-,18-,19-,22+,23-,24-,25-/m0/s1
InChIKey BMCQMVFGOVHVNG-TUFAYURCSA-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(OC(=O)CCC)C(=O)CO
Roles Classification
Application(s): dermatologic drug
A drug used to treat or prevent skin disorders or for the routine care of skin.
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ChEBI Ontology
Outgoing cortisol 17-butyrate (CHEBI:31674) has role dermatologic drug (CHEBI:50177)
cortisol 17-butyrate (CHEBI:31674) is a butyrate ester (CHEBI:50477)
cortisol 17-butyrate (CHEBI:31674) is a cortisol ester (CHEBI:23396)
IUPAC Name
11β,21-dihydroxy-3,20-dioxopregn-4-en-17-yl butanoate
Synonyms Sources
11β,21-dihydroxy-17α-butyryloxy-4-pregnene-3,20-dione ChEBI
17-O-butyrylcortisol ChEBI
H-17-B ChEBI
Hydrocortisone 17-butyrate ChemIDplus
Hydrocortisone butyrate KEGG DRUG
Hydrocortisone-17alpha-butyrate ChemIDplus
Database Links Databases
D01619 KEGG DRUG
DB00741 DrugBank
Hydrocortisone-17-Butyrate Wikipedia
View more database links
Registry Numbers Types Sources
13609-67-1 CAS Registry Number KEGG DRUG
13609-67-1 CAS Registry Number ChemIDplus
3634702 Beilstein Registry Number Beilstein
3634702 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
16566122 PubMed citation Europe PMC
2265088 PubMed citation Europe PMC
24504495 PubMed citation Europe PMC
26085051 PubMed citation Europe PMC
Last Modified
16 February 2016