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Stereochemistry Information from NOESY/ROESY data … Part 1

September 14, 2009

Several NMR experiments offer tools to help determine the stereochemistry of a structure. Some typical experiments are 1D NOE (Nuclear Overhauser Effect), 2D NOESY (NOE Spectroscopy) and ROESY (Rotating-frame Overhauser Effect Spectroscopy). These experiments will produce signals for nuclei that are close to each other through space independent of the number of bonds separating the nuclei.

A simplified 1H-1H NOESY spectrum is shown below. The spectrum shows 2 correlations at (4.29,1.28) and (4.29,3.13) ppm. There is no correlation to the proton signal at 2.68 ppm.

NOESY_Part1Spec_Sept142009

Based on NOESY data, there are 2 possible conformations. The enantiomers (partially drawn) are shown below.

NOESY_Part1Str_Sept142009

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