[(1S,4aR,6S,8aS)-6-(2-hydroxypropan-2-yl)-8a-methyl-4-methylidene-1,2,3,4a,5,6,7,8-octahydronaphthalen-1-yl] (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate | 1186126-97-5

• 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: [(1S,4aR,6S,8aS)-6-(2-hydroxypropan-2-yl)-8a-methyl-4-methylidene-1,2,3,4a,5,6,7,8-octahydronaphthalen-1-yl] (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
• CAS: 1186126-97-5
• 化学式: C₂₅H₃₃F₃O₄
• 分子量: 454.53
• InChiKey: GATLJIPPDYDJDE-MLNGRUJYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  32
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  55.8
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  ent-4(15)-eudesmen-1α,11-diol 、 (R)-methoxytrifluoromethylphenylacetyl chloride 在 吡啶 作用下， 反应 14.0h， 以1.1 mg的产率得到[(1S,4aR,6S,8aS)-6-(2-hydroxypropan-2-yl)-8a-methyl-4-methylidene-1,2,3,4a,5,6,7,8-octahydronaphthalen-1-yl] (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
  参考文献：
  名称：

  γ-Lactones and ent-Eudesmane Sesquiterpenes from the Endophytic Fungus Eutypella sp. BCC 13199

  摘要：

  Two new gamma-lactones, eutypellins A (1) and B (2), and two ent-eudesmane sesquiterpenes, ent-4(15)-eudesmen-1 1-ol-1-one (3) and ent-4(15)-eudesmen-1 alpha,11-diol (4), together with three known pimarane diterpenes, diaporthein B, scopararane A, and libertellenone C, were isolated from the endophytic fungus Eutypella sp. BCC 13199. The structures of these compounds were elucidated by interpretation of spectroscopic data. The absolute configuration of 4 was confirmed by application of the modified Mosher's method. Eutypellin A (1) and sesquiterpene 3 exhibited weak cytotoxic activities.

  DOI：

  10.1021/np900316x