Synergistic Combination of NAPROC-13 and NMR 13C DFT Calculations: A Powerful Approach for Revising the Structure of Natural Products

This article describes the structure revision of nine triterpenoids that have been reported corresponding to the same 13C NMR data set. In addition, 13C NMR calculation shows that some chemical shift assignments must be swapped. Our analysis improves the fit between the experimental and calculated d...

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Veröffentlicht in:Journal of natural products (Washington, D.C.) D.C.), 2023-10, Vol.86 (10), p.2294-2303
Hauptverfasser: Sánchez-Martínez, Hugo A., Morán-Pinzón, Juan A., del Olmo Fernández, Esther, Eguiluz, David López, Adserias Vistué, José F., López-Pérez, José L., De León, Estela Guerrero
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Sprache:eng
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