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目的 研究传统中药罗汉果的皂苷类化学成分罗汉果皂苷IVa的结构 ,总结其结构的NMR特点。方法 采用常法提取、分离、纯化罗汉果皂苷IVa ,应用NMR方法 ( 1 HNMR、1 3CNMR、DEPT、1 H 1 HCOSY、HSQC、HMBC和NOESY)和计算机分子模拟研究其结构。结果 对罗汉果皂苷IVa的1 H和1 3C信号进行了归属 ,并为该类型化合物的结构确定提供了波谱学依据。结论 包括1 H 1 HCOSY、HSQC、HMBC、NOESY的一维和二维核磁共振波谱技术是对结构进行无创伤性分析的有力工具。NMR方法确定的结构与计算机分子模拟的最优构象一致。
OBJECTIVE: To study the structure of the saponin chemical component Lo Han Guo Saponin IVa in traditional Chinese medicine Luohanguo, and to summarize the NMR characteristics of its structure. Methods The traditional method was used to extract, isolate and purify Loxia saponin IVa. The structure was studied by NMR method (1HNMR, 13CNMR, DEPT, 1H 1 HCOSY, HSQC, HMBC and NOESY) and computer molecular simulation. RESULTS The 1 H and 13 C signals of mogroside IVa were assigned and provided spectroscopic basis for the structure determination of this type of compound. Conclusion One-dimensional and two-dimensional NMR spectroscopy including 1 H 1 HCOSY, HSQC, HMBC, and NOESY are powerful tools for non-invasive analysis of structures. The structure determined by the NMR method is consistent with the optimal conformation of the computer molecular simulation.