Abstract
Nuclear Magnetic Resonance (NMR) spectroscopy is a highly versatile technique for structural elucidation in natural product research. However, its implementation as the ultimate identity test requires the accurate determination of the position and multiplicity of each proton resonance of the compound(s) of interest. In this report, quantitative 1H NMR (qHNMR) and computer-aided spectral analysis are combined to develop an efficient methodology for the complete analysis of 1H NMR signal patterns. This approach, termed 1 H iterative Full Spin Analysis (HiFSA), enables the production of detailed, reproducible 1H NMR profiles, i.e., 1H NMR fingerprints. These high resolution, field independent fingerprints can be used to unambiguously identify natural products in a wide variety of samples, including reference materials, enriched fractions, and crude extracts. Furthermore, they also provide a solid starting point for the characterization of structurally related unknown compounds. Illustrative examples of 1H NMR fingerprints of natural products and their generation by HiFSA will be presented.
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