[(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] 6-[4-[(1-methyl-2-oxoquinolin-6-yl)iminomethyl]phenoxy]hexanoate | 1107064-54-9

• 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-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 6-[4-[(1-methyl-2-oxoquinolin-6-yl)iminomethyl]phenoxy]hexanoate
• CAS: 1107064-54-9
• 化学式: C₅₀H₆₈N₂O₄
• 分子量: 761.101
• InChiKey: ZKGRDSTZHHBVLH-RIEGWHEESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.7
• 重原子数：
  56
• 可旋转键数：
  16
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  68.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  6-(4-Formyl-phenoxy)-hexanoic acid (3S,8S,9S,10R,13R,14S,17R)-17-((R)-1,5-dimethyl-hexyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl ester 、 6-amino-1-methylquinoline-2(1H)-one 在 溶剂黄146 作用下， 以 乙醇 为溶剂， 反应 8.0h， 以94%的产率得到[(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] 6-[4-[(1-methyl-2-oxoquinolin-6-yl)iminomethyl]phenoxy]hexanoate
  参考文献：
  名称：

  Synthesis and thermal behavior of chiral oligomers derived from cholesterol

  摘要：

  Synthesis and thermal properties of a series of Schiff base oligomers derived from naturally occurring cholesterol are described. In particular, four of them show smectic A and/or chiral nematic phase/s or an unknown mesophase, while the other is non-mesomorphic. Molecular packing in the SmA phase has been determined by the HRXRD experiment. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.10.085

文献信息

• Synthesis and thermal behavior of chiral oligomers derived from cholesterol
  作者：K.C. Majumdar、S. Chakravorty、N. Pal、Nandiraju V.S. Rao

  DOI：10.1016/j.tet.2008.10.085

  日期：2009.1

  Synthesis and thermal properties of a series of Schiff base oligomers derived from naturally occurring cholesterol are described. In particular, four of them show smectic A and/or chiral nematic phase/s or an unknown mesophase, while the other is non-mesomorphic. Molecular packing in the SmA phase has been determined by the HRXRD experiment. (C) 2008 Elsevier Ltd. All rights reserved.