Detailed 1H and 13C NMR structural assignment of ent-polyalthic acid, a biologically active labdane diterpene
| Autor: | Antônio Eduardo Miller Crotti, Guilherme M. L. Ghizonni, Pedro Y. Kovatch, Vladimir Constantino Gomes Heleno, Sérgio Ricardo Ambrósio, Alexsandro E. Ferreira |
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| Rok vydání: | 2022 |
| Předmět: |
Hydrogen
Chemistry Stereochemistry chemistry.chemical_element Biological activity General Chemistry Carbon-13 NMR ESPECTROSCOPIA DE RESSONÂNCIA MAGNÉTICA NUCLEAR Labdane chemistry.chemical_compound Proton NMR General Materials Science Polyalthic acid Diterpene Two-dimensional nuclear magnetic resonance spectroscopy |
| Zdroj: | Repositório Institucional da USP (Biblioteca Digital da Produção Intelectual) Universidade de São Paulo (USP) instacron:USP |
| Popis: | In this paper, a complete 1 H and 13 C NMR data assignment of ent-polyalthic acid, a biologically active labdane-type diterpene, is presented. The assignments were carried on the basis of spectroscopic data from 1 H NMR, 13 C{1 H} NMR, gCOSY, gHMQC, and gHMBC experiments. Furthermore, a software-assisted methodology, using FOMSC3_rm_NB and NMR_MultSim programs, supported the detailed and unequivocal assignment of 1 H and 13 C signals, allowing all hydrogen coupling constants to be determined and thus clarifying all hydrogen signal multiplicities. |
| Databáze: | OpenAIRE |
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