一个倍半萜的晶体结构

The X-ray Crystal Structure of One Sesquiterpene

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 ,P2 12 12 1空间群 ,a=0 . 9192 (2 ) nm,b=1. 12 39(3) nm,c=2 . 4 4 2 1(5) nm,V=2 .52 2 9(10 ) nm3 ,Z=4 ,d =1. 2 0 7g/ cm3 ,F (0 0 0 ) =984 ,C2 6H3 4O7,Mr=4 58. 53,R1=0 .0 383,w R2 =0 .0 775。

A sesquiterpene was isolated from the seed oil of Celastrus orbiculatus and identified as 1 α ,6 β diacetoxy 9 β benzoyloxy β dihydroagarofuran by 1H NMR, 13 C NMR and X ray diffraction. The crystal belongs to orthorhombic system, P2 12 12 1 space group, a =0.9192(2)nm, b =1.1239(3)nm, c =2.4421(5)nm, V =2.5229(10)nm 3, Z =4, d =1.207 g/cm 3, F (000)=984, C 26 H 34 O 7, M r=458 53, R 1=0.0383, wR 2 = 0.0775.