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Configuration Confirmation of Euphorbia Factor L_1 by Single-crystal X-ray Diffraction

Configuration Confirmation of Euphorbia Factor L_1 by Single-crystal X-ray Diffraction
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摘要 A 6,(17)-epoxylathyrol diterpenoid ((2S*3S*4R*5R*6S*9S*11S*15R*)-5,15-diacetoxy-3- phenylacetoxy-14-oxolathyra-6(17),(12E)-diene-6(17)-epoxide) was isolated from the seeds of Euhporbia lathyris L. Its configuration was puzzled because of the incomplete X-ray results reported before. In this work, the atom connectivity and configuration were confirmed by single-crystal X-ray diffraction together with ESI-MS, ^1H-, and ^13C-NMR spectroscopy. The compound crystallizes in monoclinic, space group P21 with a = 11.386(1), b = 8.2839(7), c = 17.192(2) A, β = 108.305(2)°, Z = 2, V = 1539.5(2)A^3, C32H40O8, Mr = 552.64, Dc = 1.192 g/m^3, /7(000) = 592,μ(MoKα) = 0.085 mm^-l, T = 293(2) K, the final R = 0.0398 and wR = 0.0950 for 2057 observed reflections with Ⅰ 〉 2α(Ⅰ). The molecule shows a tricyclic terpenoid skeleton, consisting of fused five-, eleven- and three-membered rings. The configuration at C(5) is R^* and that at C(6) S^*. A 6,(17)-epoxylathyrol diterpenoid ((2S*3S*4R*5R*6S*9S*11S*15R*)-5,15-diacetoxy-3- phenylacetoxy-14-oxolathyra-6(17),(12E)-diene-6(17)-epoxide) was isolated from the seeds of Euhporbia lathyris L. Its configuration was puzzled because of the incomplete X-ray results reported before. In this work, the atom connectivity and configuration were confirmed by single-crystal X-ray diffraction together with ESI-MS, ^1H-, and ^13C-NMR spectroscopy. The compound crystallizes in monoclinic, space group P21 with a = 11.386(1), b = 8.2839(7), c = 17.192(2) A, β = 108.305(2)°, Z = 2, V = 1539.5(2)A^3, C32H40O8, Mr = 552.64, Dc = 1.192 g/m^3, /7(000) = 592,μ(MoKα) = 0.085 mm^-l, T = 293(2) K, the final R = 0.0398 and wR = 0.0950 for 2057 observed reflections with Ⅰ 〉 2α(Ⅰ). The molecule shows a tricyclic terpenoid skeleton, consisting of fused five-, eleven- and three-membered rings. The configuration at C(5) is R^* and that at C(6) S^*.
出处 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 北大核心 2008年第12期1431-1434,共4页 结构化学(英文)
基金 supported by the "Western Light" Joint Research Program from the Chinese Academy of Sciences
关键词 epoxylathyrol diterpenoid Euphorbia lathyris crystal structure epoxylathyrol diterpenoid Euphorbia lathyris crystal structure
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