Abstract
The unassigned configurations of a toxic metabolite to mammals extracted from Neosartorya fischeri (fischerin) in C19, C20, C21, and C22 are assigned as R, R, R, and S, respectively. In this assignment, the extensive ab initio calculations followed by chemical shift computations are performed. Computed chemical shifts are correlated to experimental ones in order to find the correct configuration shown here.
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Original Russian Text © 2015 S. K. Amini.
The text was submitted by the authors in English. Zhurnal Strukturnoi Khimii, Vol. 56, No. 7, pp. 1398-1404, November-December, 2015.
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Amini, S.K. Assignment of the absolute configuration of fischerin by computed nmr chemical shifts. J Struct Chem 56, 1334–1341 (2015). https://doi.org/10.1134/S0022476615070148
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DOI: https://doi.org/10.1134/S0022476615070148