高等学校化学学报

高等学校化学学报 ›› 2001, Vol. 22 ›› Issue (4): 573.

• 研究论文 • 上一篇    下一篇

雷公藤内酯甲的制备和晶体结构

李良学, 刘继德, 尹业高, 谌了容, 苏洪英   

  1. 1. 荆州师范学院化学系, 荆州 434104;
    2. 武汉大学化学与环境科学系, 武汉 430072
  • 收稿日期:2000-03-31 出版日期:2001-04-24 发布日期:2001-04-24
  • 通讯作者: 李良学(1944年出生),男,教授,从事有机合成和结构分析研究.

Crystal Structure and Preparation of Wilforlide A

LI Liang-Xue, LIU Ji-De, YIN Ye-Gao, SHEN Liao-Rong, SU Hong-Ying   

  1. 1. Department of Chemistry, Jingzhou Normal College, Jingzhou 434104, China;
    2. Department of Chemistry and Environment Science, Wuhan University, Wuhan 430072, China
  • Received:2000-03-31 Online:2001-04-24 Published:2001-04-24

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被引次数

3

摘要： 从雷公藤(TripterygiumwilfordiiHook.F.)根心部分的乙醇提取液中,采用硅胶柱色谱法和TLC方法得到纯的雷公藤内酯甲(WilforlideA).用IR,1HNMR和元素分析表征,并测定其单晶结构.化合物分子式为C30H46O3,Mr=454.70,晶体属正交晶系,P212121空间群,晶胞参数:a=0.732(4)nm,b=1.283(7)nm,c=2.693(6)nm,V=2.5327nm3,Z=4,Dc=1.192g·cm-3,μ(MoKα)=0.695cm-1,F(000)=1107,R=0.039,RW=0.044,分子为五环三萜γ-内酯.分子中C22—C23为烯键,C11连有羟基,C33_O3为羰基,整个分子呈起伏状,不在同一平面内.从AM1计算结果可以看出,仲羟基中的O1及γ-内酯中的O3原子净电荷大,致使分子极性较大,易在O1和O3部位发生亲核反应和氧化还原反应,显示分子的反应活性

关键词: 雷公藤内酯甲, 制备, 晶体结构, 活性

Abstract: Apure wilforlide Awas separated from the ethanolic extract of tripterygium wilfordii Hook. F. root. The compound was characterized by IR, 1HNMRand microanalysis. Its crystal structure was also determined by X-ray crystallography. The title compound is formulated as C30 H46 O3 with formulae weight Mr=454.70. Its crystal belongs to orthorhombic system with P212121 space group. The crystal cell parameters are a=0.732(4) nm, b=1.283(7) nm, c=2.693(6) nm; V=2.5327 nm3, Z=4, Dc=1.192 g·cm-3, μ (Mo Kα )=0.695 cm-1, F (000)=1107. The final R=0.039, RW=0.044. The title compound is a five membered ring terpene, whole skeleton of molecule stretches folded. The results of AM1 calculation shows that the molecule is polar and reactive to the nucleophilic and redox reactions.

Key words: Wilforlide A, Preparation, Crystal structure, Activity

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