引用本文:
【打印本页】   【HTML】   【下载PDF全文】   View/Add Comment  【EndNote】   【RefMan】   【BibTex】
←前一篇|后一篇→ 过刊浏览    高级检索
本文已被:浏览 861次   下载 1071 本文二维码信息
码上扫一扫!
分享到: 微信 更多
Crystal Structure of (6aR,11aR)-4,9-dimethoxy-3-hydroxypterocarpan
Deng Yanru,Jiang Yanfeng,Xi Chanjuan,Wu Shuixian,Wang Hanqing*
Author NameAffiliationE-mail
Deng Yanru State Key Laboratory of OSSOLanzhou Institute of Chemical PhysicsChinese Academy of SciencesLanzhou 730000  
Jiang Yanfeng Department of ChemistryTsinghua UniversityBeijing 100084  
Xi Chanjuan Department of ChemistryTsinghua UniversityBeijing 100084  
Wu Shuixian State Key Laboratory of OSSOLanzhou Institute of Chemical PhysicsChinese Academy of SciencesLanzhou 730000  
Wang Hanqing* State Key Laboratory of OSSOLanzhou Institute of Chemical PhysicsChinese Academy of SciencesLanzhou 730000 whqwt@hotmail.com 
Abstract:
(6aR,11aR)-4,9-dimethoxy-3-hydroxypterocarpan was isolated from the natural plant of Caragana spinifera Kom (Leguminosae). The structure was elucidated by infrared spectra(IR), mass spectrometry(MS), 1H-Nuclear magnetic resonance(1H-NMR),13C-Nuclear Magnetic Resonance(13C-NMR), 1H-1H correlation spectroscopy(1H-1H COSY), heteronuclear multiple quantum coherence(HMQC) and heteronuclear multiple bond coherence(HMBC). In addition, its crystal structure was determined by the single-crystal X-ray diffraction analysis. It crystalized in monoclinic, space group P21 with a=6.4778(13), b=12.631(3), c=8.8368(18)(A), β= 95.8(3)o, C17H16O5, Mr=300.30, V=719.3(3)(A)3, Z=2, Dc=1.386 Mg/m3, F(000)=316, μ=0.102 mm-1, the final R=0.0332 and wR=0.0862 for 1533 observed reflections (I>2σ(I)). The molecular backone of the compound includes a benzofuro and a benzopyran. The X-ray analysis shows that the absolute configuration of the compound is cis-pterocarpan.
Key words:  (6aR, 11aR)-4,9-dimethoxy-3-hydroxypterocarpan, Isolation, Crystal structure
FundProject:
(6aR,11aR)-3-羟基-4,9-二甲氧基紫檀烷分子的晶体结构
邓雁如,江艳烽,席婵娟,武水仙,汪汉卿*
摘要:
从多刺锦鸡儿 (豆科)中分离得到一个紫檀烷型化合物-(6aR,11aR)-3-羟基-4,9-二甲氧基紫檀烷,通过红外光谱、质谱、核磁共振氢谱、核磁共振碳谱、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,该化合物晶体属单斜晶系,空间群为P21,化学式为C17H16O5, Mr=300.30.晶胞参数为: a=6.4778(13), b= 12.631(3), c=8.8368(18)(A), β=95.80(3)o, V= 719.3(3)(A)3, Z=2,
关键词:  (6aR,11aR)-3-羟基-4,9-二甲氧基紫檀烷  分离  晶体结构
DOI:10.1088/1674-0068/17/4/454-458
分类号: