1β,5α-dihydroxyeudesma-11(13)-en-12,8β-olide | 1259932-80-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 1β,5α-dihydroxyeudesma-11(13)-en-12,8β-olide
• 英文别名: (1R,4S,5R,7R,8R,10S)-1,5-dihydroxy-eudesma-11(13)-en-12,8-olide；(3aR,4aR,5S,8R,8aS,9aR)-4a,8-dihydroxy-5,8a-dimethyl-3-methylidene-3a,4,5,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one
• CAS: 1259932-80-3
• 化学式: C₁₅H₂₂O₄
• 分子量: 266.337
• InChiKey: VJHMBPAKWGACHZ-HZYUEDJHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  19
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  66.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1β,5α-dihydroxyeudesma-11(13)-en-12,8β-olide 、 甲氧基-三氟甲基苯 在 4-二甲氨基吡啶 、 氘代吡啶 作用下， 反应 4.0h， 生成
  参考文献：
  名称：

  New sesquiterpenes from Inula japonica Thunb. with their inhibitory activities against LPS-induced NO production in RAW264.7 macrophages

  摘要：

  Twenty-two new sesquiterpenes were isolated from the aerial parts of Inula japonica Thunb., together with fifteen known ones. Their structures were determined by detailed spectroscopic analysis, X-ray diffraction studies, and modified Mosher method. All 37 compounds were evaluated for the inhibition of LPS-induced nitric oxide (NO) production in RAW264.7 macrophages, and most of isolates significantly inhibited the NO production with IC50 values in the range of 3.5-20 mu M. Besides, results obtained in our studies provided a structure-activity relationship that would be used to design anti-inflammatory agents in the future. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.09.091