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Crystal Structure of 8β-Hydroxyeremophil-7(11)-ene-12,8α(4β,6α)-diolide
Hui-qing Xue1,2,3, Hui-feng Xue4, Biao Wu1, Han-qing Wang*1, Xue-lei Xin1,5, Shui-xian Wu1
1.State Key Laboratory for Oxo Synthesis and Selective Oxidation, Lanzhou Institute of Chemical Physics, Chinese Academy of Science, Lanzhou 730000, China;2.Graduate University of Chinese Academy of Sciences, Beijing 100039, China;3.Shanxi College of Tradi;4.Petrochemical Research Institute of Lanzhou Petrochemical Company, Lanzhou 730060, China;5.Xinjiang Technical Institute of Physics & Chemistry, Urumchi 830011, China
Abstract:
8β-hydroxyeremophil-7(11)-ene-12,8α(4β,6α)-diolide was isolated from the Ligularia intermedia and char- acterized by MS, multi NMR and X-ray single crystal diffraction. Its crystal structure was determined as in a orthorhombic type, with space group P212121 with a=6.8519(5), b=10.7191(8), c=18.5942(14) oA, V =1365.67(18) oA3, Z=4, and the calculated density is 1.354 mg/m3. F(000)=592, μ=0.101 mm-1.
Key words:  Ligularia intermedia, Isolation, Crystal structure, X-ray di?raction
FundProject:
8β-hydroxyeremophil-7(11)-ene-12,8α(4β,6α)-diolide分子的晶体结构
薛慧清 1,2,3, 薛慧峰 4, 吴彪 1, 汪汉卿 1, 信学雷 1,5, 武水仙 1
1.中国科学院兰州化学物理研究所,OSSO国家重点实验室,兰州730000;2.中国科学院研究生院,北京100039;3.山西中医学院,太原030024;4.兰州石化公司研究院,兰州730060;5.中国科学院新疆理化技术研究所,乌鲁木齐830011
摘要:
运用层析法、结晶法从狭苞橐吾全草中分离得到艾里莫芬烷型 倍半萜8β-hydroxyeremophil-7(11)-ene-12,8α(4β,6α)-diolide化合 物,并通过质谱、核磁共振氢谱和碳谱、氢核-氢核相关谱、异核多 量子相干谱和异核多键相干谱进行结构鉴定. 其单晶经X射线衍射 测试表明,其晶体属正交晶系,空间群为P212121,晶胞参数为: a=6.8519(5),b=10.7191(8),c=18.5942(14) oA, V = 1365.67(18) oA 3,Z=4,Dc=1.354
关键词:  狭苞橐吾,分离,晶体结构,X射线衍射
DOI:10.1360/cjcp2006.19(6).519.4
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