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À propos de : Application of a New Expert System for the Structure Elucidation of NaturalProducts from Their 1D and 2D NMR Data        

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  • Application of a New Expert System for the Structure Elucidation of NaturalProducts from Their 1D and 2D NMR Data
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  • Described herein are applications of the latest version of the StrucEluc expert software system, enhancedto use 2D NMR data, to the structure elucidation of 60 recently isolated natural products. In this study,selected molecules containing between 15 and 65 skeletal atoms and having molecular masses rangingfrom 200 to 900 amu have been investigated. The correct structure was determined unambiguously for58 of these molecules. The structures for 75% of the data sets were determined in less than one minute,while 90% of the analyses required no more than 30 minutes. The strategy of structure elucidation bythis expert system is described, and several examples are discussed. These illustrate that StrucEluc is apowerful and versatile analytical tool for the structure elucidation of natural products.
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