CAJ | 학술논문

从雷公藤（Tripterygium wilfordii Hook. 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（Wilforlide A）. 用IR, 1H NMR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=2.532 7 nm3, Z=4, Dc=1.192 g*cm-3, μ(Mo Kα)=0.695 cm-1, \{F(000)=\}1 107, 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.
종뢰공등（Tripterygium wilfordii Hook. F.）근심부분적을순제취액중, 채용규효주색보법화TLC방법득도순적뢰공등내지갑（Wilforlide A）. 용IR, 1H NMR화원소분석표정, 병측정기단정결구. 화합물분자식위C30H46O3, Mr=454.70, 정체속정교정계, P212121공간군, 정포삼수: a=0.732(4) nm, b=\{1.283(7)\} nm, c=2.693(6) nm, V=2.532 7 nm3, Z=4, Dc=1.192 g*cm-3, μ(Mo Kα)=0.695 cm-1, \{F(000)=\}1 107, R=0.039, RW=0.044, 분자위오배삼첩γ-내지. 분자중C22—C23위희건, C11련유간기, C33_O3 위탄기, 정개분자정기복상, 불재동일평면내. 종AM1계산결과가이간출, 중간기중적O1급γ-내지중적O3원자정전하대, 치사분자겁성교대, 역재O1화O3부위발생친핵반응화양화환원반응, 현시분자적반응활성.
A pure wilforlide A was separated from the ethanolic extract of tripterygium wilfordii Hook. F. root. The compound was characterized by IR, 1H NMR and microanalysis. Its crystal structure was also determined by X-ray crystallography. The title compound is formulated as C30H46O3 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=2.532 7 nm3, Z=4, Dc=1.192 g*cm-3, μ(Mo Kα)=0.695 cm-1, F(000)=1 107. 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.