Robinson V J, Bain A D, Rodger C A
Syntex Inc., Mississauga, Ontario, Canada.
Steroids. 1986 Sep-Oct;48(3-4):267-77. doi: 10.1016/0039-128x(86)90010-3.
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.
本文对强效抗炎氟甾体21-乙酰氧基-6α,9-二氟-11β-羟基-16α,17-(1-甲基亚乙基)双(氧基)孕甾-1,4-二烯-3,20-二酮的质子和碳-13核磁共振谱进行了全面分析。使用二维同核化学位移相关(COSY)技术和一维NOE差谱相结合的方法分析了300 MHz质子谱。通过谱模拟和迭代获得了精确的耦合常数和化学位移。通过二维异核化学位移实验从质子谱确定了碳-13谱，并通过全耦合异核COSY型实验证实了远程氟-质子耦合。
