Abstract

One new terpenylated coumarin ailanthuscoumarin was isolated from the root barks of Ailanthus altissima (Mill.) Swingle. The high oxidation of the compound led to the difficulty of structure elucidation by 2D-NMR spectra. Its structure was determined with the aid of computer-assisted structure elucidation (CASE) expert systems and Gauge-independent atomic orbital (GIAO) NMR calculations. The absolute configuration of ailanthuscoumarin was determined by the comparison between the experimental and calculated electronic circular dichroism (ECD) spectra. The anti-hepatoma activity of ailanthuscoumarin against two human hepatoma cells (Hep3B, HepG2) was also reported.

摘要

从臭椿(Mill.) Swingle的根皮中分离出一种新的萜烯化香豆素臭椿香豆素。该化合物的高度氧化导致难以通过 2D-NMR 光谱进行结构解析。其结构是在计算机辅助结构解析 (CASE) 专家系统和与规范无关的原子轨道 (GIAO) NMR 计算的帮助下确定的。臭椿素的绝对构型是通过实验和计算电子圆二色性 (ECD) 光谱之间的比较来确定的。还报道了臭椿素对两种人肝癌细胞（Hep3B、HepG2）的抗肝癌活性。