(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl 5-((6-((5-(4-((E)-(4-hydroxyphenyl)diazenyl)phenoxy)pentyl)oxy)naphthalen-2-yl)oxy)pentanoate | 945223-42-7

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl 5-((6-((5-(4-((E)-(4-hydroxyphenyl)diazenyl)phenoxy)pentyl)oxy)naphthalen-2-yl)oxy)pentanoate
• CAS: 945223-42-7
• 化学式: C₅₉H₇₈N₂O₆
• 分子量: 911.278
• InChiKey: WWIWDWCDQXKJEF-JXEJTHPFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  16.09
• 重原子数：
  67.0
• 可旋转键数：
  22.0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  98.94
• 氢给体数：
  1.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl 5-((6-((5-(4-((E)-(4-hydroxyphenyl)diazenyl)phenoxy)pentyl)oxy)naphthalen-2-yl)oxy)pentanoate 、 1-[2-[4-[7-[4-[4-(6-Bromohexoxy)phenyl]phenoxy]heptoxy]phenyl]ethynyl]-2,3,4-tridodecoxybenzene 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 12.0h， 以49%的产率得到
  参考文献：
  名称：

  Monodispersive Linear Supermolecules Stabilizing Unusual Fluid Layered Phases

  摘要：

  The first examples of monodisperse liquid crystalline pentamers, synthesized by covalently linking five mesogenic segments through four flexible spacers, exhibiting mono-/partially bilayered phases with unusual textures, as established by optical, calorimetric, and X-ray diffraction studies, are reported. Importantly, the two types of multifunctional pentamers, namely, unsymmetric and C-2 symmetric are soluble in organic solvents and exhibit analogous electrochemical features.

  DOI：

  10.1021/ol070808p
• 作为产物：
  描述：

  [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 5-(6-hydroxynaphthalen-2-yl)oxypentanoate 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 反应 48.0h， 生成 (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl 5-((6-((5-(4-((E)-(4-hydroxyphenyl)diazenyl)phenoxy)pentyl)oxy)naphthalen-2-yl)oxy)pentanoate
  参考文献：
  名称：

  Monodispersive Linear Supermolecules Stabilizing Unusual Fluid Layered Phases

  摘要：

  The first examples of monodisperse liquid crystalline pentamers, synthesized by covalently linking five mesogenic segments through four flexible spacers, exhibiting mono-/partially bilayered phases with unusual textures, as established by optical, calorimetric, and X-ray diffraction studies, are reported. Importantly, the two types of multifunctional pentamers, namely, unsymmetric and C-2 symmetric are soluble in organic solvents and exhibit analogous electrochemical features.

  DOI：

  10.1021/ol070808p