| Crystal Structure of 6β,7β,14β-Trihydroxy-1α-acetoxy-7α,20-epoxy-ent-kaur-16-en-15-one |
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| 引用本文： | 汪涛,丁兰,郭国聪.Crystal Structure of 6β,7β,14β-Trihydroxy-1α-acetoxy-7α,20-epoxy-ent-kaur-16-en-15-one[J].结构化学,2007,26(4):457-461. |
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| 作者姓名： | 汪涛 丁兰 郭国聪 |
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| 作者单位： | Department of Chemistry and Chemical Engineering Heze University，College of Life Sciences Northwest Normal University，State Key Laboratory of Structural Chemistry Fujian Institute of Research on the Structure of Matter The Chinese Academy of Sciences，Shandong 274015 China，Lanzhou Gansu 730070 China，Fuzhou Fujian 350002 China |
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| 摘 要： | 6β,7β,14β-Trihydroxy-1α-acetoxy-7α,20-epoxy-ent-kaur-16-en-15-one was isolated from the natural plant of Isodon japonica (Burm.f), Haravar. galaucocalyx (maxim) Hara. The structure was elucidated by means of spectral and chemical studies. In addition, its crystal was determined by single-crystal X-ray diffraction analysis. It crystallizes in triclinic, space group P1, Z = 2, a = 6.3506(4), b = 13.5766(8), c = 15.2777(9) , α = 80.506(1), β = 83.856(1), γ = 88.307(1)o, C25H36O9, Mr = 480.54, V = 1291.64(13) 3, Z = 2, Dc = 1.236 g/cm3, F(000) = 516, μ = 0.093 mm-1, S = 0.988, the final R = 0.0761 and wR = 0.1955. Flack factor is 0.02(19), and the largest peak and deepest hole on the final difference Fourier map are 0.556 and –0.265 e/3, respectively. The X-ray diffraction shows the existence of intermolecular C–H…O (DA) hydrogen bonds between adjacent molecules.
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| 关 键 词： | 6β 7β 14β-三羟基-1α-乙酰氧基-7α 20-环氧-对映-贝壳杉-16-烯-15-酮 二萜化合物 单晶 晶体结构 腺花香茶菜 |
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