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Two new cadinane-type sesquiterpenes from the Chinese liverwort Frullania serrata

机译:两种来自中国地箭属Frullania serrata的新的卡丹烷型倍半萜

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摘要

Two new cadinane-type sesquiterpenes, frullanic acid (1) and frullanic acid methyl ester (2), together with four known bibenzyls, brittonin B (3), 3,3'-dimethoxy-4,5-methylenedioxybibenzyl (4), 3,4,5,3',4'-penlamethoxybibenzyl (5) and (±)-3-(4'-methoxybenzyl)-5,6-dimethoxyphtbalide (6), were isolated from the Chinese liverwort Frullania serrata. The structures of the new metabolites were elucidated by analysing the spectroscopic data (1D NMR, 2D NMR, HR-ESI-MS and IR). The absolute configurations of compounds 1 and 2 were determined by comparing the experimental and calculated electronic circular dichroism spectra predicted by using time-dependent density functional theory as well as the CD exciton chirality method.
机译:两种新的卡丁烷型倍半萜烯,富勒酸(1)和富勒酸甲酯(2)以及四种已知的联苄基,布雷顿通素B(3),3,3'-二甲氧基-4,5-亚甲基二氧基联苄基(4),3分离自中国艾草艾蒿(Frullania serrata)中的,4,5,3',4'-戊甲氧基联苄(5)和(±)-3-(4'-甲氧基苄基)-5,6-二甲氧基邻苯二甲酸酯(6)。通过分析光谱数据(1D NMR,2D NMR,HR-ESI-MS和IR)阐明了新代谢物的结构。通过比较使用时间依赖性密度泛函理论以及CD激子手性方法预测的实验和计算的电子圆二色性光谱,确定化合物1和2的绝对构型。

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