hookerolide A | 1428418-02-3

• 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: hookerolide A
• 英文别名: [(1R,3aS,5R,5aR,8aR,9S,9aR)-1-[(2R)-2-hydroxypropyl]-5,8a-dimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl] acetate
• CAS: 1428418-02-3
• 化学式: C₁₉H₂₆O₆
• 分子量: 350.412
• InChiKey: PRUWJMBEBMDNFV-ZJDIRLHJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.74
• 拓扑面积：
  89.9
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  hookerolide A 、 甲氧基-三氟甲基苯 在 4-二甲氨基吡啶 作用下， 以 氘代吡啶 为溶剂， 反应 4.0h， 生成
  参考文献：
  名称：

  Hookerolides A–D, the first naturally occurring C17-pseudoguaianolides from Inula hookeri

  摘要：

  Four unprecedented C-17-pseudoguaianolides with extended side chains, hookerolides A-D (1-4), were isolated from the whole plants of Inula hookeri. Their structures and absolute configurations were elucidated by a combination of NMR spectroscopy, CD spectrum, and the modified Mosher method. The in vitro bioactivity evaluation suggested that 1-4 possessed moderate to weak anti-inflammatory and cytotoxic properties. (c) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.01.116

文献信息

• Hookerolides A–D, the first naturally occurring C17-pseudoguaianolides from Inula hookeri
  作者：Xiang-Rong Cheng、Jie Ren、Chun-Hui Wang、Bin Guan、Jiang-Jiang Qin、Shi-Kai Yan、Hui-Zi Jin、Wei-Dong Zhang

  DOI：10.1016/j.tetlet.2013.01.116

  日期：2013.4

  Four unprecedented C-17-pseudoguaianolides with extended side chains, hookerolides A-D (1-4), were isolated from the whole plants of Inula hookeri. Their structures and absolute configurations were elucidated by a combination of NMR spectroscopy, CD spectrum, and the modified Mosher method. The in vitro bioactivity evaluation suggested that 1-4 possessed moderate to weak anti-inflammatory and cytotoxic properties. (c) 2013 Elsevier Ltd. All rights reserved.