摘要
长管香茶菜B（LongikaurinB）分子的化学计量式为C22H30O7，Mr=406．47，用X射线衍射法确定其晶体结构，该结晶是无色透明柱状，属单斜晶系，空间和群为P21，晶胞参数：a=11．893（2），b=6.380（2），c=13．205（2）A，β=99．39（2）°，Z=2，V=988．5（4）A3，Dc＝1．366g／cm3，F（000）＝436，u＝0．9cm-1。应用直接法解析分子结构，以最小二乘法修正结构参数。最终可靠因子R=0.042，Ra=0.043。结果表明，该化合物为长管香茶菜B，属7，20-氧桥-对映-贝壳杉烯型工花化合物。结构与功能关系研究表明LongikaurinB化合物可能具有抗肿瘤生物活性。
The crystal structure of the title compound, C22H30O7 (Mr= 406. 47), has been determinedby single-crystal X-ray diffraction. The crystal is monoclinic with space group P21, a=11. 893(2), b=6. 380(2), c=13. 205(2) A, p=99. 39(2), V = 988. 5(4) A3 , Z = 2, Dc= 1.366g/cm3, F(000) = 436, u= 0. 9 cm-1. The crystal structure was solved by direct methods. Afterstructure refincment using least-squares method, the final R=0. 042 and Rw= 0. 043 for 1646 re-flections (| F>3d|F|). Structure analysis revealed that the compound Longikaurin B belongs toditerpene of 7, 20-oxo-bridging-ent-kaurenetype. The study of relations between structure andfunction shows that Longikaurin B may have anti-cancer biological activity.
基金
国家自然科学基金
国家教委博士点基金
