波谱学杂志 ›› 1993, Vol. 10 ›› Issue (4): 447-451.

• 研究论文 • 上一篇    下一篇

天然产物喹啉生物碱13C NMR谱的经验计算

李小迪1, 赵天增2   

  1. 1. 湖南省资江化工学校, 冷水江 417506;
    2. 河南化学研究所 郑州 450003
  • 收稿日期:1992-10-29 修回日期:1993-02-04 出版日期:1993-12-05 发布日期:2018-01-20

13C NMR EMPERICAL CALCULATION OF NATURAL QUINOLINE ALKALOIDS

Li Xiaodi1, Zhao Tianzeng2   

  1. 1. The Chemical Industry School of Zijiang, Lengshuijiang 417506;
    2. Chemistry Institute of Henan, Zhengzhou 450003
  • Received:1992-10-29 Revised:1993-02-04 Online:1993-12-05 Published:2018-01-20

摘要: 本文基于化学位移加和性理论,建立了一个经验公式,利用所得公式计算了9个化合物的δC值,计算值与文献值符合良好,并对32个化合物的13C NMR化学位移进行了预测。

关键词: 喹啉生物碱, 13C NMR, 位移规律

Abstract: Emperical formulas were set up according to the additive theory of chemical shift in this paper. The chemical shifts of 9 quinoline alkaloids were calculated using the proposed emperical formula. Calculated and experimental shifts are in excellent agreement. The chemical shifts of 32 compounds were predicted in addition.

Key words: Quinoline alkaloids, 13C NMR, Shift rule