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

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ChEBI Name 9-fluoro-11β,17,21-trihydroxy-2α-methylpregn-4-ene-3,20-dione 21-acetate
ChEBI ID CHEBI:79771
ChEBI ASCII Name 9-fluoro-11beta,17,21-trihydroxy-2alpha-methylpregn-4-ene-3,20-dione 21-acetate
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C24H33FO6
Net Charge 0
Average Mass 436.51360
Monoisotopic Mass 436.22612
InChI InChI=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
InChIKey OGDQCSZNJSAJKD-IJUIUGIXSA-N
SMILES C[C@@H]1C[C@@]2(C)C(CC[C@H]3[C@@H]4CC[C@](O)(C(=O)COC(C)=O)[C@@]4(C)C[C@H](O)[C@]23F)=CC1=O
ChEBI Ontology
Outgoing 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-acetate ChemIDplus
Manual Xref Database
C15269 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
1524-87-4 CAS Registry Number ChemIDplus
3182026 Reaxys Registry Number Reaxys
Last Modified
06 February 2018