CHEBI:34517 - 9alpha-Fluoro-11beta,17alpha,21-trihydroxypregna-1,4-diene-3,20-dione 21-acetate

ChEBI IDCHEBI:34517
ChEBI Name9alpha-Fluoro-11beta,17alpha,21-trihydroxypregna-1,4-diene-3,20-dione 21-acetate
Stars
Last Modified22 February 2017
DownloadsMolfile
FormulaC23H29FO6
Net Charge0
Average Mass420.477
Monoisotopic Mass420.19482
SMILES[H][C@@]12CC[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@@]21C
InChIInChI=1S/C23H29FO6/c1-13(25)30-12-19(28)22(29)9-7-16-17-5-4-14-10-15(26)6-8-20(14,2)23(17,24)18(27)11-21(16,22)3/h6,8,10,16-18,27,29H,4-5,7,9,11-12H2,1-3H3/t16-,17-,18-,20-,21-,22-,23-/m0/s1
InChIKeyZOCUOMKMBMEYQV-GSLJADNHSA-N
Roles Classification
Biological Role:
hormone  Originally referring to an endogenous compound that is formed in specialized organ or group of cells and carried to another organ or group of cells, in the same organism, upon which it has a specific regulatory function, the term is now commonly used to include non-endogenous, semi-synthetic and fully synthetic analogues of such compounds.
ChEBI Ontology
Outgoing Relation(s)
9alpha-Fluoro-11beta,17alpha,21-trihydroxypregna-1,4-diene-3,20-dione 21-acetate (CHEBI:34517) is a corticosteroid hormone (CHEBI:36699)
Synonyms  Source
9alpha-Fluoro-11beta,17alpha,21-trihydroxypregna-1,4-diene-3,20-dione 21-acetateKEGG COMPOUND
Isoflupredone acetateKEGG COMPOUND
U-6013KEGG COMPOUND
deltarhinolDrugCentral
9-fluoroprednisolone acetateDrugCentral
Manual XrefsDatabases
C14636KEGG COMPOUND
D04627KEGG DRUG
4962DrugCentral
Registry NumbersSources
CAS:338-98-7KEGG COMPOUND