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CHEBI:79773 - 9-fluoro-2α-methylpregn-4-ene-3,11,20-trione

ChEBI IDCHEBI:79773
ChEBI Name9-fluoro-2α-methylpregn-4-ene-3,11,20-trione
Stars
ASCII Name9-fluoro-2alpha-methylpregn-4-ene-3,11,20-trione
DefinitionA fluorinated steroid that is pregn-4-ene substituted by a fluoro group at position 2, a methyl group at position 2 and oxo groups at positions 3, 11 and 20.
Last Modified11 March 2015
DownloadsMolfile
FormulaC22H29FO3
Net Charge0
Average Mass360.469
Monoisotopic Mass360.21007
SMILES[H][C@@]12CCC3=CC(=O)[C@H](C)C[C@]3(C)[C@@]1(F)C(=O)C[C@]1(C)[C@@H](C(C)=O)CC[C@@]21[H]
InChIInChI=1S/C22H29FO3/c1-12-10-21(4)14(9-18(12)25)5-6-17-16-8-7-15(13(2)24)20(16,3)11-19(26)22(17,21)23/h9,12,15-17H,5-8,10-11H2,1-4H3/t12-,15-,16+,17+,20-,21+,22+/m1/s1
InChIKeyCCIHHCZWSDAQGO-ROXMKHFISA-N
ChEBI Ontology
Outgoing Relation(s)
9-fluoro-2α-methylpregn-4-ene-3,11,20-trione (CHEBI:79773) has functional parent progesterone (CHEBI:17026)
9-fluoro-2α-methylpregn-4-ene-3,11,20-trione (CHEBI:79773) has parent hydride pregnane (CHEBI:8386)
9-fluoro-2α-methylpregn-4-ene-3,11,20-trione (CHEBI:79773) is a 11-oxo steroid (CHEBI:47787)
9-fluoro-2α-methylpregn-4-ene-3,11,20-trione (CHEBI:79773) is a 20-oxo steroid (CHEBI:36885)
9-fluoro-2α-methylpregn-4-ene-3,11,20-trione (CHEBI:79773) is a 3-oxo-Δ4 steroid (CHEBI:47909)
9-fluoro-2α-methylpregn-4-ene-3,11,20-trione (CHEBI:79773) is a fluorinated steroid (CHEBI:50830)
IUPAC Name 
9-fluoro-2α-methylpregn-4-ene-3,11,20-trione
Synonym  Source
9-Fluoro-2alpha-methyl-11-oxoprogesteroneKEGG COMPOUND
Manual XrefsDatabases
C15271KEGG COMPOUND
Registry NumbersSources
Reaxys:8361042Reaxys
CAS:1582-62-3ChemIDplus