Open AccessCarbon-13 Nuclear Magnetic Resonance Spectroscopy. Structure of the Anticoagulant Warfarin and Related Compounds in Solution
Author(s) -
Donald D. Giannini,
Kenneth K. Chan,
John D. Roberts
Publication year - 1974
Publication title -
proceedings of the national academy of sciences of the united states of america
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.011
H-Index - 771
eISSN - 1091-6490
pISSN - 0027-8424
DOI - 10.1073/pnas.71.10.4221
Subject(s) - phenprocoumon , warfarin sodium , warfarin , chemistry , diastereomer , coumarin , nuclear magnetic resonance spectroscopy , nuclear overhauser effect , nuclear magnetic resonance , dimethyl sulfoxide , carbon fibers , stereochemistry , organic chemistry , materials science , medicine , composite number , cardiology , composite material , atrial fibrillation , physics
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.