波谱学杂志 ›› 1988, Vol. 5 ›› Issue (2): 123-128.

• 研究论文 • 上一篇    下一篇

用一维和二维核磁共振波谱研究吗啡和可待因的分子构型

王德华1, George C. Levy2   

  1. 1. 中国科学院武汉物理所波谱与原子分子物理开放实验室;
    2. 美国Syracuse大学化学系
  • 收稿日期:1987-06-04 修回日期:1987-09-03 出版日期:1988-06-05 发布日期:2018-01-22

DETERMINATION OF CONFIGURATION OF MORPHINE AND CODEINE BY ONE AND TWO-DIMENSIONAL NMR

Wang Dehua1, George C. Levy2   

  1. 1. Laboraiory of Magnetic Resonance and Atomic and Molecular Physics, Wuhan Institute of Physics, Wuhan;
    2. Department of Chemistry, Syracuse University, USA
  • Received:1987-06-04 Revised:1987-09-03 Online:1988-06-05 Published:2018-01-22

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摘要： 用360MHz超导核磁共振波谱仪测定了吗啡(morphine)和可待因(codeine)的质子耦合常数。用二维J-谱验证了一维质子谱的J-耦合。用一系列改性的Karplus公式计算了二面角(dihedral sngles),估算了吗啡和可待因的分子构型(configuration)。

Abstract: Coupling constants of morphine and codeine were obtained by using 360 MHz NMR. The coupling patterns were verified by a J-resolvcd two-dimensional spectrum. The dihedral angles were calculated by using a series of modified Kar-plus equations.The configurations of morphine and codeine were calculated from X-ray bond length and the calculated dihedral angles.

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