title: Carbon-13 nuclear magnetic resonance spectroscopy. Structure of the anticoagulant warfarin and related compounds in solution.
abstract: Carbon-13 nuclear magnetic resonance spectra have been obtained for the coumarin-related compounds warfarin and phenprocoumon. The spectral assignments indicate that warfarin exists as a mixture of cyclic hemiketal diastereomers in dimethyl sulfoxide solution. The sodium salt of warfarin exists as the ringopen form in water solution.
mesh_terms: D001593:Benzyl Compounds; D002247:Carbon Isotopes; D003374:Coumarins; D009682:Magnetic Resonance Spectroscopy; D008968:Molecular Conformation; D011714:Pyrans; D012996:Solutions; D014859:Warfarin
chemical_list: D001593:Benzyl Compounds; D002247:Carbon Isotopes; D003374:Coumarins; D011714:Pyrans; D012996:Solutions; D014859:Warfarin