Measurement of long range H,C couplings in natural products in orienting media: 
a tool for structure elucidation of natural products.

Verdier, L.; Sakhaii, P.; Zweckstetter, M.; Griesinger, C.

doi:10.1016/S1090-7807(03)00063-6

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Measurement of long range H,C couplings in natural products in orienting media: a tool for structure elucidation of natural products.

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Zweckstetter, M.
Research Group of Protein Structure Determination using NMR, MPI for biophysical chemistry, Max Planck Society;

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Griesinger, C.
Department of NMR Based Structural Biology, MPI for biophysical chemistry, Max Planck Society;

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Citation

Verdier, L., Sakhaii, P., Zweckstetter, M., & Griesinger, C. (2003). Measurement of long range H,C couplings in natural products in orienting media: a tool for structure elucidation of natural products. Journal of Magnetic Resonance, 163(2), 353-359. doi:10.1016/S1090-7807(03)00063-6.

Cite as: https://hdl.handle.net/11858/00-001M-0000-000E-7090-E

Abstract

In this paper we show that water insoluble compounds dissolved in poly-γ-benzyl-glutamate are amenable to the measurement of a number of homo- and heteronuclear dipolar couplings. The sensitivity and experimental precision of dipolar couplings are sufficient to obtain a good match with the structure. In order to achieve the necessary precision for H,C dipolar couplings between protons and carbons that are not directly bound a new method for the measurement of heteronuclear long range couplings is introduced that allows a one-parameter fit to a HSQC-based experiment as reference experiment. The methodology is applied to menthol (1R, 3S, 4R).