Long-range NMR 1H,13C-coupling and conformational analysis of polyphenolic glycosides
245th American Chemical Society (ACS) National Meeting & Exposition
American Chemical Society (ACS)
New Orleans, LA
April 7-11, 2013
Date of Presentation
Unambiguous structure assignment of standards is essential for metabolome characterization of infected plants. Complete structure elucidation of four natural polyphenols, resveratrol, pelargonidin chloride, cyanin chloride, and keracyanin chloride by 1H-, 13C, COSY-, and HMBC-NMR is described. The sinusoidal modulation frequency of cross-peaks (J-HMBC) was fitted iteratively to sin(pJH,Ctvar) and yielded 2,3J-values. Statistical distributions of dihedral angles (MD-simulation) and variations of the Karplus equation were used to determine weighted coupling constants for comparison with the experimental values.
Franz, A. H.
Long-range NMR 1H,13C-coupling and conformational analysis of polyphenolic glycosides.
Paper presented at 245th American Chemical Society (ACS) National Meeting & Exposition in New Orleans, LA.