Reinvestigation of the Stereochemistry of the <i>C</i>‑Glycosidic Ellagitannins, Vescalagin and Castalagin
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Abstract
The
stereochemistry of the <i>C</i>-glycosidic ellagitannins,
vescalagin and castalagin, has been reinvestigated using computational
methods. DFT calculations of their <sup>1</sup>H and <sup>13</sup>C NMR spectra, as well as TDDFT calculations of the ECD spectra of
their des-hexahydroxydiphenoyl analogues, revealed that the structure
of the triphenoyl moiety of vescalagin and castalagin should be revised