Corpus ID: 73616736

Use of an Expert System in Lignan Skeleton Prediction from 1 H NMR Data

  title={Use of an Expert System in Lignan Skeleton Prediction from 1 H NMR Data},
  author={Mara B. Costantin and Marcelo Jos{\'e} Pena Ferreira and Gilberto V. Rodrigues and Vicente de Paulo Emerenciano},
Motivation. The identification of natural products is a task that demands skilled spectroscopists in this area. The number of isolated substances has been enhanced significatively in the last years. So, trying to reduce the time spent during the identification this process, we developed a program able to predict the carbon skeleton for a compound from 1 H NMR data. For that, the natural product class selected in this study was the lignans, products showing some complex structures. Method. The… Expand

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