(1R,4S,4aR,5R,5aS,6aS,7R,7aR,8S,11R,11aS,12S,12aR,13aR,14S,14aS)-2,3,6,9,10,13-hexakis(trifluoromethyl)-1,4,4a,5,5a,6,6a,7,7a,8,11,11a,12,12a,13,13a,14,14a-octadecahydro-1,4:5,14:6,13:7,12:8,11-pentaepoxypentacene | 134842-36-7

• 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,4S,4aR,5R,5aS,6aS,7R,7aR,8S,11R,11aS,12S,12aR,13aR,14S,14aS)-2,3,6,9,10,13-hexakis(trifluoromethyl)-1,4,4a,5,5a,6,6a,7,7a,8,11,11a,12,12a,13,13a,14,14a-octadecahydro-1,4:5,14:6,13:7,12:8,11-pentaepoxypentacene
• CAS: 134842-36-7
• 化学式: C₂₈H₁₆F₁₈O₅
• 分子量: 774.403
• InChiKey: PCMBRNNMKLPHSO-YSDIFURISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.53
• 重原子数：
  51.0
• 可旋转键数：
  0.0
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  46.15
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  (1α,2β,3α,6α,7β,8α)-4,5-bis(trifluoromethyl)-11,12-dioxatetracylo<6.2.1.1^3,6.0^2,7>dodeca-4,9-diene 、 2,5-二(三氟甲基)-1,3,4-恶二唑 生成 (1R,4S,4aR,5R,5aS,6aS,7R,7aR,8S,11R,11aS,12S,12aR,13aR,14S,14aS)-2,3,6,9,10,13-hexakis(trifluoromethyl)-1,4,4a,5,5a,6,6a,7,7a,8,11,11a,12,12a,13,13a,14,14a-octadecahydro-1,4:5,14:6,13:7,12:8,11-pentaepoxypentacene
  参考文献：
  名称：

  The synthesis of polarofacial spacer molecules: a new twist in the coupling of ring strained olefins with oxadiazoles.

  摘要：

  New approaches to the synthesis of rigid spacer molecules in which an oxygen-bridge bestows the facial polarity is described: attempts to couple 7-oxanorbornenes together using 1,3,4-oxadiazoles yields inverted, non linear products in a stereospecific reaction which differs significantly from that known to obtain with norbornenes.

  DOI：

  10.1016/s0040-4039(00)85989-4