11α-hydroxydysobinin: a new limonoid from Chisocheton macrophyllus seeds (Meliaceae)

A new limonoid compound 11α-hydroxydisobinin (1), along with a known limonoid compound (2), was isolated from ethyl acetate extract of Chisocheton macrophyllus (Meliaceae) seeds. The structure and stereochemical configuration of compound 1 was characterized by HR-ESI-MS, UV, IR, NMR, and ECD analysis through quantum chemical calculations (TD-DFT analysis and DP4+ NMR). Both limonoids were tested for their cytotoxic activities against MCF-7 breast cancer cells with IC50 values of 112.5 and 51.7 µM.从大叶割舌树（Chisocheton macrophyllus，楝科（Meliaceae））种子的乙酸乙酯提取物中，分离得到新型柠檬苦素类化合物（limonoid）11α-羟基二索比宁波素（1）与已知柠檬苦素类化合物（2）。通过高分辨电喷雾电离质谱（HR-ESI-MS）、紫外光谱（UV）、红外光谱（IR）、核磁共振波谱（NMR）、电子圆二色谱（ECD）结合量子化学计算（含时密度泛函理论（TD-DFT）分析与DP4+核磁共振分析法），对化合物1的结构及立体构型进行了表征。对两种柠檬苦素类化合物开展抗MCF-7乳腺癌细胞的细胞毒活性测试，其半抑制浓度（IC50）分别为112.5和51.7 μM。