Deconvolution of Complex NMR Spectra in Small Molecules by Multi Frequency Homonuclear Decoupling (MDEC)

摘要

Advances in NMR instrumentation have pushed the limits of small molecule NMR, with higher fields allowing better signal dispersion and modern probe design permitting analysis and quantification on the nanomolar level. One of the remaining limitations of small molecule NMR is the ability to obtain relative configuration of small molecules. Since the 1959 report by Karplus the use of coupling constants to determine the relative configuration in conformationally rigid small molecules has become routine. More recently, J-based configuration analysis has been applied to determine the relative stereochemistry of complex acyclic and macrocylic small molecules and natural products.The utility of J-based methods relies on the ability to measure discrete coupling constants between protons (J-(HH)), which can be difficult in molecules with complex multiplets and significant signal overlap.