title: A complete proton and carbon-13 NMR analysis of fluocinonide, a fluorinated corticosteroid.
abstract: This paper presents a complete analysis of the proton and carbon-13 NMR spectra of 21-acetoxy-6 alpha,9-difluoro-11 beta-hydroxy-16 alpha,17-(1-methylethylidene) bis-(oxy) pregna-1,4-diene-3,20-dione, a potent anti-inflammatory fluorosteroid. The 300 MHz proton spectrum was analyzed using a combination of the two-dimensional homonuclear chemical shift correlation (COSY) technique and one-dimensional NOE difference spectra. Exact coupling constants and chemical shifts were obtained by spectral simulation and iteration. The carbon-13 spectrum was assigned from the proton spectrum via a two-dimensional heteronuclear chemical shift experiment, and long-range fluorine-proton couplings were confirmed by a fully coupled heteronuclear COSY-type experiment.
authors.affiliation: Syntex Inc., Mississauga, Ontario, Canada.
authors.forename: V J
authors.initials: VJ
authors.lastname: Robinson
authors.forename: A D
authors.initials: AD
authors.lastname: Bain
authors.forename: C A
authors.initials: CA
authors.lastname: Rodger
mesh_terms: D055598:Chemical Phenomena; D002621:Chemistry; D005446:Fluocinolone Acetonide / Q000031:analogs & derivatives; D005447:Fluocinonide; D009682:Magnetic Resonance Spectroscopy
chemical_list: D005446:Fluocinolone Acetonide; D005447:Fluocinonide