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Detailed 1H and 13C NMR structural assignment of ent-polyalthic acid, a biologically active labdane diterpene
Magnetic Resonance in Chemistry ( IF 1.9 ) Pub Date : 2021-09-12 , DOI: 10.1002/mrc.5217
Pedro Y Kovatch 1 , Alexsandro E Ferreira 1 , Guilherme M L Ghizonni 1 , Sérgio R Ambrósio 1 , Antônio E M Crotti 2 , Vladimir C G Heleno 1
Affiliation  

In this paper, a complete 1H and 13C 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 1H NMR, 13C{1H} 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 1H and 13C signals, allowing all hydrogen coupling constants to be determined and thus clarifying all hydrogen signal multiplicities.

中文翻译:

ent-polyalthic 酸的详细 1H 和 13C NMR 结构分配,一种具有生物活性的拉丹二萜

在本文中,介绍了ent -polyalthic 酸(一种具有生物活性的拉丹型二萜)的完整1 H 和13 C NMR 数据分配。这些分配是根据1 H NMR、13 C{ 1 H} NMR、gCOSY、gHMQC 和 gHMBC 实验的光谱数据进行的。此外,使用 FOMSC3_rm_NB 和 NMR_MultSim 程序的软件辅助方法支持1 H 和13 C 信号的详细和明确分配,允许确定所有氢耦合常数,从而阐明所有氢信号的多重性。
更新日期:2021-09-12
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