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Predicting heterocyclic ring coupling constants through a conformational search of tetra-O-methyl-(+)-catechin

Informally Refereed

Abstract

A GMMX conformational search routine gives a family of conformations that reflects the Boltzmann-averaged heterocyclic ring conformation as evidenced by accurate prediction of all three coupling constants observed for tetra-O-methyl-(+)-catechin.

Citation

Tobiason, Fred L.; Hemingway, Richard W. 1994. Predicting heterocyclic ring coupling constants through a conformational search of tetra-O-methyl-(+)-catechin. Tetrahedrom Letters 35(14):2137-2140
https://www.fs.usda.gov/research/treesearch/8310