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CHEBI:79771 - 9-fluoro-11β,17,21-trihydroxy-2α-methylpregn-4-ene-3,20-dione 21-acetate

ChEBI IDCHEBI:79771
ChEBI Name9-fluoro-11β,17,21-trihydroxy-2α-methylpregn-4-ene-3,20-dione 21-acetate
Stars
ASCII Name9-fluoro-11beta,17,21-trihydroxy-2alpha-methylpregn-4-ene-3,20-dione 21-acetate
DefinitionA steroid ester that is pregn-4-en-21-yl acetate substituted by a fluoro group at position 9, hydroxy groups at positions 11 and 17 and oxo groups at positions 3 and 20 respectively.
Last Modified6 February 2018
DownloadsMolfile
FormulaC24H33FO6
Net Charge0
Average Mass436.520
Monoisotopic Mass436.22612
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@H](C)C[C@@]21C
InChIInChI=1S/C24H33FO6/c1-13-10-21(3)15(9-18(13)27)5-6-17-16-7-8-23(30,20(29)12-31-14(2)26)22(16,4)11-19(28)24(17,21)25/h9,13,16-17,19,28,30H,5-8,10-12H2,1-4H3/t13-,16+,17+,19+,21+,22+,23+,24+/m1/s1
InChIKeyOGDQCSZNJSAJKD-IJUIUGIXSA-N
ChEBI Ontology
Outgoing Relation(s)
9-fluoro-11β,17,21-trihydroxy-2α-methylpregn-4-ene-3,20-dione 21-acetate (CHEBI:79771) has parent hydride pregnane (CHEBI:8386)
9-fluoro-11β,17,21-trihydroxy-2α-methylpregn-4-ene-3,20-dione 21-acetate (CHEBI:79771) is a 11β-hydroxy steroid (CHEBI:35346)
9-fluoro-11β,17,21-trihydroxy-2α-methylpregn-4-ene-3,20-dione 21-acetate (CHEBI:79771) is a 17α-hydroxy steroid (CHEBI:35342)
9-fluoro-11β,17,21-trihydroxy-2α-methylpregn-4-ene-3,20-dione 21-acetate (CHEBI:79771) is a 20-oxo steroid (CHEBI:36885)
9-fluoro-11β,17,21-trihydroxy-2α-methylpregn-4-ene-3,20-dione 21-acetate (CHEBI:79771) is a 3-oxo-Δ4 steroid (CHEBI:47909)
9-fluoro-11β,17,21-trihydroxy-2α-methylpregn-4-ene-3,20-dione 21-acetate (CHEBI:79771) is a acetate ester (CHEBI:47622)
9-fluoro-11β,17,21-trihydroxy-2α-methylpregn-4-ene-3,20-dione 21-acetate (CHEBI:79771) is a fluorinated steroid (CHEBI:50830)
9-fluoro-11β,17,21-trihydroxy-2α-methylpregn-4-ene-3,20-dione 21-acetate (CHEBI:79771) is a steroid ester (CHEBI:47880)
9-fluoro-11β,17,21-trihydroxy-2α-methylpregn-4-ene-3,20-dione 21-acetate (CHEBI:79771) is a tertiary α-hydroxy ketone (CHEBI:139592)
IUPAC Name 
9-fluoro-11β,17-dihydroxy-2α-methyl-3,20-dioxopregn-4-en-21-yl acetate
Synonym  Source
9-fluoro-17-hydroxy-2α-methylcorticosterone 21-acetateChemIDplus
Manual XrefsDatabases
C15269KEGG COMPOUND
Registry NumbersSources
Reaxys:3182026Reaxys
CAS:1524-87-4ChemIDplus