Detailed H-1 and C-13 NMR structural assignment of ent-polyalthic acid, a biologically active labdane diterpene

Autor(es)

Kovatch, Pedro Y. ^[1] ; Ferreira, Alexsandro E. ^[1] ; Ghizonni, Guilherme M. L. ^[1] ; Ambrosio, Sergio R. ^[1] ; Crotti, Antonio E. M. ^[2] ; Heleno, Vladimir C. G. ^[1]

Afiliação do(s) autor(es)

^[1] Univ Franca, Nucleo Pesquisas Ciencias Exatas & Tecnol, Av Dr Armando de Salles Oliveira 201, BR-14404600 Franca, SP - Brazil

^[2] Univ Sao Paulo, Fac Filosofia Ciencias & Letras, Dept Quim, Ribeirao Preto, SP - Brazil

• Tipo de documento: Carta
• Fonte: Magnetic Resonance in Chemistry; v. 60, n. 2 SEP 2021.
• Citações Web of Science: 0

Resumo

In this paper, a complete H-1 and C-13 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 H-1 NMR, C-13[H-1] 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 H-1 and C-13 signals, allowing all hydrogen coupling constants to be determined and thus clarifying all hydrogen signal multiplicities. (AU)

• Processo FAPESP: 11/13630-7 - Validação química e farmacológica de extratos e princípios ativos de espécies de Copaifera
• Beneficiário: Jairo Kenupp Bastos
• Modalidade de apoio: Auxílio à Pesquisa - Temático