Computer-Assisted Approach to Structural Elucidation of Lignans

  title={Computer-Assisted Approach to Structural Elucidation of Lignans},
  author={Mara B. Costantin and Marcelo Jos{\'e} Pena Ferreira and Gilberto V. Rodrigues and Vicente de Paulo Emerenciano},
  journal={Spectroscopy Letters},
  pages={405 - 421}
ABSTRACT This paper reports an expert system (SISTEMAT) developed for structural determination of diverse chemical classes of natural products, including lignans, based mainly on 13C NMR and 1H NMR data of these compounds. The system is composed of five programs that analyze specific data of a lignan and shows a skeleton probability for the compound. At the end of analyses, the results are grouped, the global probability is computed, and the most probable skeleton is exhibited to the user… Expand
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