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

Informally Refereed
Download (PDF 493 KB): https://research.fs.usda.gov/download/treesearch/24255.pdf

Abstract

A GMMXe conformational search routine gives a family a conformations that reflects the boltzmann-averaged heterocyclic ring conformation as evidence 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. Tetrahedron Letters, Vol. 35(14): 2137-2140