Crystal Structure and Preparation of Wilforlide A

Abstract

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 M_r=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, D_c=1.192 g·cm^-3, μ (Mo Kα )=0.695 cm^-1, F (000)=1107. The final R=0.039, R_W=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

CLC Number:

O641

TrendMD:

LI Liang-Xue, LIU Ji-De, YIN Ye-Gao, SHEN Liao-Rong, SU Hong-Ying . Crystal Structure and Preparation of Wilforlide A[J]. Chem. J. Chinese Universities, 2001, 22(4): 573.

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Crystal Structure and Preparation of Wilforlide A

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