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Identification and ab initio carbon‐13 NMR assignment of a proanthocyanidin from Prunus jacquemontii
Author(s) -
Pant Geeta,
Nautiyal Anil K.,
Rawat Mohan S. M.,
Sutherland James K.,
Morris Gareth A.
Publication year - 1992
Publication title -
magnetic resonance in chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0749-1581
DOI - 10.1002/mrc.1260301323
Subject(s) - chemistry , deconvolution , analytical chemistry (journal) , carbon 13 nmr , proton nmr , two dimensional nuclear magnetic resonance spectroscopy , proanthocyanidin , computational chemistry , nuclear magnetic resonance , stereochemistry , chromatography , polyphenol , organic chemistry , algorithm , physics , computer science , antioxidant
The concerted use of 1D and 2D multiple pulse NMR methods allowed the identification and assignment of a proanthocyanidin, ent ‐epiafzelechin(4α → 8; 2α → O → 7)‐epicatechin, extracted from the bark of Prunus jacquemontii . Reference deconvolution with the FIDDLE algorithm was successfully used for line shape correction of a 13 C spectrum with poor signal‐to‐noise ratio. Over 70 long‐range proton– 13 C correlations were determined with the HMBC experiment, following modifications to improve instrument signal reproducibility, illustrating the value of this experiment when applied to systems with relatively few protons.