一个倍半萜的晶体结构

The X-ray Crystal Structure of One Sesquiterpene

摘要: 从南蛇藤种油中分离得到一个倍半萜 ,经 1H NMR、13 C NMR及晶体 X-射线衍射确证其化学结构为 1α,6 β-二乙酰氧基 - 9β-苯甲酰氧基 - β-二氢沉香呋喃 (1)。其晶体属正交晶系 ,P212121空间群 ,a=0 . 9192 (2 ) nm,b=1.1239(3) nm,c=2.4421(5) nm,V=2 .52 2 9(10 )nm3 ,Z=4 ,d =1.207g/cm3 ,F (0 0 0 ) =984 ,C26H34O7,Mr=458.53,R1=0.0383,wR2 =0.0775。

Abstract: A sesquiterpene was isolated from the seed oil of Celastrus orbiculatus and identified as 1α ,6β-diacetoxy-9β-benzoyloxy-β-dihydroagarofuran by 1H NMR,13 C NMR and X ray diffraction. The crystal belongs to orthorhombic system, P212121space group,a=0 . 9192 (2 ) nm,b=1.1239(3) nm,c=2.4421(5) nm,V=2 .52 2 9(10 )nm3 ,Z=4 ,d =1.207g/cm3 ,F (0 0 0 ) =984 ,C26H34O7,Mr=458.53,R1=0.0383,wR2 =0.0775.