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A Critique of Formulaic Descriptions of Natural Product Structural Elucidations
Author(s) -
Klika Karel D.
Publication year - 2020
Publication title -
chemistry and biodiversity
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.427
H-Index - 70
eISSN - 1612-1880
pISSN - 1612-1872
DOI - 10.1002/cbdv.201900607
Subject(s) - natural product , fastidious organism , chemistry , natural (archaeology) , product (mathematics) , natural materials , stereochemistry , polymer science , paleontology , mathematics , geology , geometry , bacteria
A commonly presented account of the structural elucidation of a natural product consists of an initial, highly detailed and fastidious NMR analysis together with HR‐MS data, followed by an X‐ray analysis, followed then by a postulated biosynthetic pathway with perhaps some bioassay results, which may be apt or appear gratuitous. But an X‐ray crystallographic‐determined structure renders any prior NMR‐based structural elucidation redundant, and moreover, an exhaustive and detailed examination of NMR contacts seems tiresome in light of an X‐ray analysis. Suggestions are therefore proffered on how the description of a structural elucidation of a natural product might alternatively be approached rather than seemingly blindly following a prescribed formula, particularly with respect to NMR and (HR‐)MS data. Also considered is which information should be in the manuscript proper and which material is better placed in the Supporting Information.