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ABSTRACT:
SUBMITTER: Napolitano JG
PROVIDER: S-EPMC3640553 | biostudies-literature | 2013 Apr
REPOSITORIES: biostudies-literature
Napolitano José G JG Lankin David C DC Graf Tyler N TN Friesen J Brent JB Chen Shao-Nong SN McAlpine James B JB Oberlies Nicholas H NH Pauli Guido F GF
The Journal of organic chemistry 20130305 7
This study demonstrates how regio- and diastereo-isomers with near-identical NMR spectra can be distinguished and unambiguously assigned using quantum mechanical driven (1)H iterative Full Spin Analysis (HiFSA). The method is illustrated with four natural products, the flavonolignans silybin A, silybin B, isosilybin A, and isosilybin B, which exhibit extremely similar coupling patterns and chemical shift differences well below the commonly reported level of accuracy of 0.01 ppm. The HiFSA approa ...[more]