波谱学杂志 ›› 1992, Vol. 9 ›› Issue (4): 307-311.

• 研究论文 •    下一篇

黄酮类天然产物13C NMR数据的计算机检索和辅助解析(Ⅱ)黄酮类天然产物的13C NMR数据规律及其在智能解析中的应用

高令杰1, 赵天增1, 梁晓天2   

  1. 1. 河南省科学院化学研究所, 郑州 450003;
    2. 中国医学科学院药物研究所, 北京
  • 收稿日期:1992-02-28 出版日期:1992-12-05 发布日期:2018-01-20
  • 基金资助:
    国家自然科学基金资助项目

THE 13C NMR SPECTRAL DATABASE AND COMPUTER-AIDED SPECTRA ELUCIDA-TION SYSTEM OF FLAVONOID NATURAL PRODUCTS (Ⅱ)The Characteristics of 13C NMR Spectra Data of Flavonoid Compounds and Its Applications in Computer-aided Spectra Elucidation System

Gao Lingjie1, Zhao Tianzeng1, Liang Xiaotian2   

  1. 1. The Institute of Chemistry, Hcnan Academy of Sciences, Zhengzhou 450003;
    2. The Institute of Material Medica of the Academy of Chinese Medical Sciences, Beijing
  • Received:1992-02-28 Online:1992-12-05 Published:2018-01-20

摘要: 本文通过对大量的黄酮类化合物13C NMR图谱的分析和研究,总结了不同类型的黄酮类化合物的13C NMR图谱特征及化学位移规律.对影响黄酮类化合物结构骨架上不同位置碳原子化学位移的因素进行了分析,建立了用于黄酮类天然产物13C NMR图谱智能解析的知识库.

关键词: 黄酮, 13C NMR, 智能解析

Abstract: In this paper, a number of 13C NMR Spectra data of flavonoid compounds were studied and analysed. The characteristics of 13C NMR spectra and the rules of chemical shifts in the backbone of different flavonoid compounds were obtained. The factors affecting the chemical shifts of flavonoid compounds were discussed and the knowledge database for computer-aided 13C NMR spectra elucidation of flavonoid natural products was established.

Key words: 13C NMR, Flavonoids, Artificial intelligence