| Synthesis and Crystal Structure of（3S,4R,Z）-3,6-dimethyl-2-（3-methylbut-2-enylidene）-2,3,3a,4,7,7a-hexahydrobenzofuran-3,4-diol |
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| 作者姓名： | CHEN Lei FANG Hu-Biao HUANG Nian-Yu WANG Jun-Zhi ZOU Kun |
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| 作者单位： | Hubei Key Laboratory of Natural Products Research and Development, College of Chemistry and LiJe Sciences, China Three Gorges University, Yichang 443002, China |
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| 基金项目： | the National Natural Science Foundation of China，Scientific and Technological Research Project of Hubei Provincial Department of Education，Doctoral Startup Foundation of China Three Gorges University，Pre-research Foundation of College of Chemistry and Life Sciences |
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| 摘 要： | The title compound of(3S,4R,Z)-3,6-dimethyl-2-(3-methylbut-2-enylidene)-2,3,3a,4,7,7a-hexahydrobenzofuran-3,4-diol,C15H22O3,as a potential gastric cytoprotective agent has been synthesized by the reduction of bisabolangelone in methanol with sodium borohydride.The title compound was characterized by IR and NMR spectra.Meanwhile,the crystal was obtained and determined by X-ray single-crystal diffraction.Crystal data:monoclinic system,space group P21 with a = 6.0692(12),b = 8.9954(18),c = 13.182(3) ,β = 92.59(3)°,V = 718.9(2) 3,Z = 2,F(000) = 272,Dc = 1.156 g/cm3,μ = 0.633 mm-1,R = 0.0362 and wR = 0.1051 for 9490 independent reflections(Rint = 0.0172) and 2461 observed reflections(I > 2σ(I)).Intermolecular O-H…O interactions link the molecules into one-dimensional infinite chains running along the b axis,which contributes to the stability of the crystal structure.
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| 关 键 词： | 晶体结构 合成甲醇 二甲基 X-射线单晶衍射 标题化合物 3S 二醇 核磁共振光谱 |
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