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Comprehensive Discussion of Published Natural Product’s Structures using a Strucutre Elucidation Software and Theoretical NMR Data.

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The project consists on using a structure elucidation software called Cocon, online on cocon.nmr.de, to create a group of molecules that are compatible with the NMR correlation data of the original molecule. This study selected molecules that might become new lead compounds and were found in 7 years of publications from the Journal of Natural Products (JNP). They were new and characterized only by spectroscopic methods.

Therefore, this project is mainly important for the NMR’s users awareness to understand that the experimental NMR data can fit to more than one structure’s possibility depending, on the analyzed molecule. That’s why they must be careful about deciding if NMR as the only technique is enough to determine their molecule’s structure, or if they need to use other techniques to confirm their structure.

Literature cited

The following literature references are used for this poster:

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