Crystal Structure of Loliolide (5, 6,7a-Tetrahydro-6-hydroxy-4, 4, 7a-trimethyl-2 (4H)-benzofuranones)  

作　　者：CHEN Jing-Yu CHEN Jian-Min XIAO Pei-Gen(Institute of Medicinal Plant Development, the Chinese Academy of Medical Sciences,Peking Union Medical College, Beijing 100094)WU Nan LU Yang(Institute of Materia Medica, the Chinese Academy of Medical Sciences,P 

出　　处：《Chinese Journal of Structural Chemistry》1997年第5期335-337,共3页结构化学（英文）

摘　　要：The structure of the title compound, which was isolated fromClinopodium polycephalum (Vant.) by C. Y. Wu et Hsuan, has been determined byX-ray diffraction analysis. C11H16O3, Mr= 196. The crystal belongs to the monoclinicspace group P21 with a= 6. 072 (3), b=11. 682 (5), c= 7. 865 (4) A, β= 109. 61(4)°, V=525. 5(4) , Z= 2, F(000) =212, Dc= 1.234 g/cm3, μ=0.08 mm-1.The structure was solved by direct methods and refined to R=0. 048 for 616 observedreflections. The molecule is composed of a six-membered ring and a five-membered lactone ring with a methyl and a hydroxy group at the two asymmetrical carbons locatedon the same side of the nucleus.The structure of the title compound, which was isolated fromClinopodium polycephalum (Vant.) by C. Y. Wu et Hsuan, has been determined byX-ray diffraction analysis. C11H16O3, Mr= 196. The crystal belongs to the monoclinicspace group P21 with a= 6. 072 (3), b=11. 682 (5), c= 7. 865 (4) A, β= 109. 61(4)°, V=525. 5(4) , Z= 2, F(000) =212, Dc= 1.234 g/cm3, μ=0.08 mm-1.The structure was solved by direct methods and refined to R=0. 048 for 616 observedreflections. The molecule is composed of a six-membered ring and a five-membered lactone ring with a methyl and a hydroxy group at the two asymmetrical carbons locatedon the same side of the nucleus.

关 键 词：clinopodium polycephalum lolioide crystal structure antitumor activity 

分 类 号：O76[理学—晶体学]