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Proton and Carbon Chemical Shift Assignments of Brodifacoum


EMSL Project ID
32717

Abstract

Abstract

We are making complete proton and carbon chemical shift assignments of both diastereomers of the potent vitamin K epoxide reductase (VKOR) inhibitor brodifacoum ((3-[3-[4-(4-bromophenyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-hydroxychromen-4-one). To resolve chemical shift degeneracies and overlap observed at 500 MHz, we are seeking 3 days of time on a high field (750 or 900 MHz) liquids instrument.

Project Details

Project type
Limited Scope
Start Date
2008-12-10
End Date
2009-02-09
Status
Closed

Team

Principal Investigator

John Cort
Institution
Pacific Northwest National Laboratory

Team Members

Herman Cho
Institution
Pacific Northwest National Laboratory

Related Publications

1Hand 13C NMR chemical shift assignments and conformational analysis for the two diastereomers of the vitamin K epoxide reductase inhibitor brodifacoum John R. Cort and Herman Cho DOI 10.1002/mrc.2475 Magn. Reson. Chem. (2009)