(1R,2R,7R,8aR)-1,8a-dimethyl-5-oxo-7-(prop-1-en-2-yl)-1,2,3,5,6,7,8,8a-octahydronaphthalen-2-yl (R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate | 1346265-64-2

• 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: (1R,2R,7R,8aR)-1,8a-dimethyl-5-oxo-7-(prop-1-en-2-yl)-1,2,3,5,6,7,8,8a-octahydronaphthalen-2-yl (R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
• CAS: 1346265-64-2
• 化学式: C₂₅H₂₉F₃O₄
• 分子量: 450.498
• InChiKey: OXUASUMQQFTDRH-SVXBKUKXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.53
• 重原子数：
  32.0
• 可旋转键数：
  5.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  52.6
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  (3R,4aR,5R,6R)-6-hydroxy-4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-one 、 甲氧基-三氟甲基苯 在 吡啶 作用下， 生成 (1R,2R,7R,8aR)-1,8a-dimethyl-5-oxo-7-(prop-1-en-2-yl)-1,2,3,5,6,7,8,8a-octahydronaphthalen-2-yl (R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
  参考文献：
  名称：

  Terpenoids and phenethyl glucosides from Hyssopus cuspidatus (Labiatae)

  摘要：

  Monoterpenoids (3 and 4), sesquiterpenoid (2), diterpenoid (1) and four phenethyl glucosides (5-8), together with fourteen known compounds, were isolated from the whole herb of Hyssopus cuspidatus. Their structures were determined by spectroscopic means. The abietane-type diterpenoids (1, 9, 10), rosmarinic acid (15) and salvigenin (17) inhibited leukotriene (LT) C-4 secretion from primary alveolar cells of Wistar rats. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.phytochem.2011.07.008