| Isolation and Crystal Structure of 4β,6α,9α- Trimethy-2-carboxyltricyclo[6.3.0.0^（4,5）]undec-2-ene |
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| 作者姓名： | SHI Shu-Yun, WU Di-Yao, ZHAO Yu |
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| 作者单位： | College of Chemistry and Chemical Engineering，Central South University，College of Pharmaceutical Sciences，Zhejiang University |
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| 基金项目： | This work was financially supported by DAAD-CSC PPP Project （CSC [2004] 3067）ACKNOWLEDGEMENT We thank Prof. Gu Jian-Ming of Analytical and Testing Center, Zhejiang University for X-ray diffraction. |
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| 摘 要： | The title compound, 4β,6α,9α-trimethy-2-carboxyltricyclo[6.3.0.0^（4,5）]undec-2-ene, is a sesquiterpene which was first isolated from Ligularia caloxantha and characterized by MS and NMR. In addition, the structure was determined by X-ray single-crystal diffraction. It crystallizes in orthorhombie, space group P212121 with a = 8.197（2）, b = 14.876（3）, c = 22.281（6） A, α = β = γ = 90°, V = 2716.9（11） ]A^3, Z = 8, C15H22O2, Mr = 234.34, Dc = 1.146 g/cm^3, μ（MoKa） = 0.074 mm^-1, F（000） = 1024, the final R = 0.0384 and wR = 0.0856 for 6200 independent reflections （Rint = 0.066） and 2538 observed ones （I 〉 2σ（I））. In the molecule, there are three fused five-membered rings; while in this crystal form, the asymmetric unit contains two molecules of the same hand and they are linked together by two intermolecular O-H...O hydrogen bonds to form a dimer.
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| 关 键 词： | 隔离 晶体结构 橐吾类 中药 |
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