Acrylic acid 6-[(R)-4-((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-pentanoylamino]-hexyl ester | 255375-05-4

• 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: Acrylic acid 6-[(R)-4-((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-pentanoylamino]-hexyl ester
• 英文别名: 6-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]hexyl prop-2-enoate
• CAS: 255375-05-4
• 化学式: C₃₃H₅₅NO₆
• 分子量: 561.803
• InChiKey: AYMPEJHXTFAQNV-VTRYNRAYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  40
• 可旋转键数：
  13
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  116
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  6-((tert-butoxycarbonyl)amino)hexyl acrylate 在 碳酸氢钠 、 对苯二酚 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 生成 Acrylic acid 6-[(R)-4-((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-pentanoylamino]-hexyl ester
  参考文献：
  名称：

  Polymer-catalyzed aminolysis of covalently imprinted cholic acid derivative

  摘要：

  A cholic acid template bearing an acrylate functional group was copolymerized with acrylamides to generate a series of cross-linked imprint polymers. Subsequent release from the matrix by means of an aminolysis reaction showed a remarkable catalysis by the polymer surface. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(99)01937-1