López-Rodríguez Matías, P García Victor, Zater Hanêne, Benayache Samir, Benayache Fadila
Acta Crystallogr Sect E Struct Rep Online. 2009 Jul 15;65(Pt 8):o1867-8. doi: 10.1107/S1600536809026701.
THE TITLE COMPOUND [SYSTEMATIC NAME: 3,8-dihydr-oxy-3-(hydroxy-meth-yl)-9-methyl-6-methyl-enedeca-hydro-azuleno[4,5-b]furan-2(3H)-one], C(15)H(22)O(5), is a sesquiterpene lactone showing the typical tricyclic guaianolide skeleton which has been isolated, together with other related metabolites, from the plant Centaurea musimomum. The present study confirms the mol-ecular structure, assigned by (1)H NMR and MS spectroscopy, as well as the the 11β-hydroxy-methyl, 3β-hydr-oxy and 4α-methyl stereochemistry. The crystal structure is built through a network of O-H⋯O hydrogen bonds involving the three hydroxyl groups that are present in the mol-ecular skeleton.
标题化合物[系统名称：3,8 - 二羟基 - 3 -（羟甲基）- 9 - 甲基 - 6 - 亚甲基十氢薁并[4,5 - b]呋喃 - 2(3H)-酮]，化学式为C(15)H(22)O(5)，是一种倍半萜内酯，具有典型的三环愈创木烷型骨架。它与其他相关代谢产物一起，从植物矢车菊（Centaurea musimomum）中分离得到。本研究通过¹H NMR和质谱光谱确定了其分子结构，以及11β - 羟甲基、3β - 羟基和4α - 甲基的立体化学结构。晶体结构是通过分子骨架中存在的三个羟基形成的O - H⋯O氢键网络构建而成的。
