波谱学杂志

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一个A环开环型芳基萘内酯类木脂素2D NMR全归属

  

  1. 1. 河南中医学院 药学院, 河南 郑州 450046;
    2. 沈阳药科大学,基于靶点的药物设计与研究教育部重点实验室,辽宁 沈阳 110016;
    3. 武警医学院 生药教研室,天津 300162
  • 收稿日期:2012-11-07 修回日期:2012-12-03 出版日期:2013-09-05 发布日期:2013-09-05
  • 基金资助:

    Doctoral Science Foundation of Henan University of Traditional Chinese Medicine (BSJJ2011-13), the National Natural Science Foundation  of China (30873363).

NMR Assignments of A Ring A -seco Aryltetralin Lignan

  1. 1. School of Pharmacy, Henan University of Traditional Chinese Medicine, Zhengzhou 450046, China;
    2. School of Traditional Chinese Materia Medica, Shenyang Pharmaceutical University, Shenyang 110016, China;
    3. Pharmacognosy Division, Medical College of Chinese People's Armed Police Force, Tianjin 300162, China
  • Received:2012-11-07 Revised:2012-12-03 Online:2013-09-05 Published:2013-09-05
  • About author:Sun Yan-jun(1978-), born in Liaoning, Ph.D., major in natural product chemistry. *Corresponding author: Hua Hui-ming, Tel: 024-23986465, E-mail: huimhua@163.com.
  • Supported by:

    Doctoral Science Foundation of Henan University of Traditional Chinese Medicine (BSJJ2011-13), the National Natural Science Foundation  of China (30873363).

摘要:

采用二维核磁共振技术(1H-1H COSY, DEPT, HSQC, HMBC, NOESY)和CD光谱,确定了A环开环型芳基萘内酯类木脂素3′, 4′-O, O-demethylene-4-O-demethylpodophyllotoxin (1)的结构. 首次对化合物113C NMR数据进行了全归属.

关键词: NMR, 归属, 2D NMR, CD, 芳基萘内酯类木脂素

Abstract:

The 13C  and 1H NMR chemical shifts of a ring A-seco aryltetralin lignan, 3′,4′-O, O-demethylene-4-O-demethylpodophyllotoxin, were assigned based on 1D and 2D NMR data, including 1H-1H COSY, DEPT, HMBC, and HSQC. Stereochemistry was established based on 1H coupling constants (J- values), NOESY results and circular dichroism (CD) results. The 13C  NMR signals of the compound was completely assigned for the first time.

Key words: NMR, assignment, 2D NMR, circular dichroism, aryltetralin lignans

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