DETERMINATION OF THE RELATIVE CONFIGURATION OF ORGANIC-COMPOUNDS USING NMR AND DG - A SYSTEMATIC-APPROACH FOR A MODEL SYSTEM

The assignment of the configuration of natural products or organic com pounds in general is often carried out by X-ray crystallography or che mical synthesis. NMR spectroscopy is often used only in a qualitative way in the context of configuration assignment. This paper will illumi nate a systematic investigation of the combined use of NMR spectroscop y and distance geometry (DG) calculations for the determination of the relative configuration of an organic model compound. The NMR/DG appro ach allows to quantify configurational assignments.