CHEBI:31275 - betamethasone acetate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name betamethasone acetate
ChEBI ID CHEBI:31275
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C24H31FO6
Net Charge 0
Average Mass 434.49774
Monoisotopic Mass 434.21047
InChI InChI=1S/C24H31FO6/c1-13-9-18-17-6-5-15-10-16(27)7-8-21(15,3)23(17,25)19(28)11-22(18,4)24(13,30)20(29)12-31-14(2)26/h7-8,10,13,17-19,28,30H,5-6,9,11-12H2,1-4H3/t13-,17-,18-,19-,21-,22-,23-,24-/m0/s1
InChIKey AKUJBENLRBOFTD-QZIXMDIESA-N
SMILES [H][C@@]12C[C@H](C)[C@](O)(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C
ChEBI Ontology
Outgoing betamethasone acetate (CHEBI:31275) has functional parent betamethasone (CHEBI:3077)
betamethasone acetate (CHEBI:31275) is a 11β-hydroxy steroid (CHEBI:35346)
betamethasone acetate (CHEBI:31275) is a 17α-hydroxy steroid (CHEBI:35342)
betamethasone acetate (CHEBI:31275) is a 20-oxo steroid (CHEBI:36885)
betamethasone acetate (CHEBI:31275) is a 3-oxo-Δ1,Δ4-steroid (CHEBI:77166)
betamethasone acetate (CHEBI:31275) is a acetate ester (CHEBI:47622)
betamethasone acetate (CHEBI:31275) is a fluorinated steroid (CHEBI:50830)
betamethasone acetate (CHEBI:31275) is a steroid ester (CHEBI:47880)
betamethasone acetate (CHEBI:31275) is a tertiary α-hydroxy ketone (CHEBI:139592)
IUPAC Name
9-fluoro-11β,17-dihydroxy-16β-methyl-3,20-dioxopregna-1,4-dien-21-yl acetate
Synonym Source
9-Fluoro-11β,17,21-trihydroxy-16β-methylpregna-1,4-diene-3,20-dione 21-acetate ChemIDplus
Manual Xrefs Databases
349 DrugCentral
D01402 KEGG DRUG
DB00443 DrugBank
View more database links
Registry Numbers Types Sources
3228669 Beilstein Registry Number Beilstein
987-24-6 CAS Registry Number ChemIDplus
Last Modified
07 February 2018