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Published October 1, 1974 | public
Journal Article Open

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 ring-open form in water solution.

Additional Information

© 1974 by the National Academy of Sciences. Contributed by John D. Roberts, August 6, 1974. This work was supported by the Public Health Service, Research Grant GM-11072, from the Division of General Medical Sciences, and by the National Science Foundation. This paper is contribution no. 4941 from the Gates and Crellin Laboratories of Chemistry, California Institute of Technology.

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