A simple and versatile scheme of stereochemical identification of the stereochemically rich natural products and organic compounds with multiple asymmetric centers is proposed based on a detailed parsing of calculated H and C NMR chemical shifts in combination with their DP4+ analysis, as exemplified for three natural products: sungucine, physalin D, and anabsinthin. Performed benchmark calculations of the considered diastereomers provided very good agreement with their known experimental stereochemical structures.
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| http://dx.doi.org/10.1021/acs.jpca.1c08687 | DOI Listing |
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