一种脂溶性异黄酮化合物的晶体结构及抗氧化活性研究

Crystal Structure and Antioxidant Activities of One Fatty Soluble Isoflavones Derivatives

本文合成了5-甲基-7-羟基-4-甲氧基异黄酮,采用IR,UV,1H NMR,和元素分析对其结构进行了表征,并利用X射线单晶衍射仪测定了该化合物的晶体结构。用紫外光谱法研究了它们对超氧阴离子自由基和1,1-二苯基-2-苦肼基自由基(1,1-diphenyl-2-picrylhydrazyl free radical简称DPPH.)的清除活性.实验结果表明5-甲基-7-羟基-4′-甲氧基异黄酮化合物(C17H14O4)属于三斜晶系,空间群为P1。a=0.82255(2)nm,b=0.93123(2)nm,c=1.04547(2)nm,α=89.0432(2)°,β=69.1950(10)°,γ=66.9790(10)°,Z=2,V=0.681 99(3)nm3,Dc=1.375 g.cm-3,F(000)=296,R1=0.044 4,wR2=0.115 6,而且该化合物具有较好的清除羟基自由基和超氧自由基的作用。

The fat-soluble isoflavone derivatives： 5-methyl-7-hydroxy-4′-methoxyisoflavone（L2） were synthesized and their structures were characterized by IR,UV,1H NMR,single crystal X-ray diffraction and elemental analysis.The scavenging activities of L2 on superoxide anion free radical and 1,1-diphenyl-2-picrylhy-drazyl free radical（DPPH·） were measured by ultraviolet spectrophotometry.The experiment result shows that,the crystal（C17H14O4） belongs to triclinic space group P1 with unit cell constants a=0.822 55（2） nm,b=0.931 23（2） nm,c=1.045 47（2） nm,α=89.043（2）°,β=69.195 0（10）°,γ=66.979 0（10）°,V=0.681 99（3） nm3,Z=2,Dc=1.375 g·cm-3,F（000）=296,R=0.044 4,wR=0.115 6.The compound L2 can scavenge 1,1-diphenyl-2-picrylhy-drazyl free radical（DPPH·） and superoxide anion free radical effectively.CCDC： 821767.