11-(2-Ethoxythiocarbonylsulfanyl-2-phenyl-acetoxy)-undecanoic acid (3R,5R,8S,9S,10S,13R,14S,17R)-17-((R)-3-carboxy-1-methyl-propyl)-10,13-dimethyl-11-oxo-hexadecahydro-cyclopenta[a]phenanthren-3-yl ester | 298220-46-9

• 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: 11-(2-Ethoxythiocarbonylsulfanyl-2-phenyl-acetoxy)-undecanoic acid (3R,5R,8S,9S,10S,13R,14S,17R)-17-((R)-3-carboxy-1-methyl-propyl)-10,13-dimethyl-11-oxo-hexadecahydro-cyclopenta[a]phenanthren-3-yl ester
• 英文别名: (4R)-4-[(3R,5R,8S,9S,10S,13R,14S,17R)-3-[11-(2-ethoxycarbothioylsulfanyl-2-phenylacetyl)oxyundecanoyloxy]-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
• CAS: 298220-46-9
• 化学式: C₄₆H₆₈O₈S₂
• 分子量: 813.173
• InChiKey: MVECAGLPUKDHKZ-ROZGXVENSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.3
• 重原子数：
  56
• 可旋转键数：
  24
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.76
• 拓扑面积：
  174
• 氢给体数：
  1
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  环丙胺 、 11-(2-Ethoxythiocarbonylsulfanyl-2-phenyl-acetoxy)-undecanoic acid (3R,5R,8S,9S,10S,13R,14S,17R)-17-((R)-3-carboxy-1-methyl-propyl)-10,13-dimethyl-11-oxo-hexadecahydro-cyclopenta[a]phenanthren-3-yl ester 以62%的产率得到(R)-4-((3R,5R,8S,9S,10S,13R,14S,17R)-3-Hydroxy-10,13-dimethyl-11-oxo-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-pentanoic acid cyclopropylamide
  参考文献：
  名称：

  A practical process for polymer-supported synthesis

  摘要：

  Various complex structures can be attached to a polystyrene oligomer using the simple but powerful xanthate transfer technology; the material obtained is soluble in many of the common organic solvents allowing further reactions under homogeneous conditions, but can be precipitated with methanol making this technique especially suitable for conducting parallel syntheses. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(00)00886-8
• 作为产物：
  描述：

  3α-hydroxy-11-oxo-cholanic acid 以 丙酮 为溶剂， 生成 11-(2-Ethoxythiocarbonylsulfanyl-2-phenyl-acetoxy)-undecanoic acid (3R,5R,8S,9S,10S,13R,14S,17R)-17-((R)-3-carboxy-1-methyl-propyl)-10,13-dimethyl-11-oxo-hexadecahydro-cyclopenta[a]phenanthren-3-yl ester
  参考文献：
  名称：

  A practical process for polymer-supported synthesis

  摘要：

  Various complex structures can be attached to a polystyrene oligomer using the simple but powerful xanthate transfer technology; the material obtained is soluble in many of the common organic solvents allowing further reactions under homogeneous conditions, but can be precipitated with methanol making this technique especially suitable for conducting parallel syntheses. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(00)00886-8

文献信息

• A practical process for polymer-supported synthesis
  作者：Béatrice Quiclet-Sire、Agnieszka Wilczewska、Samir Z Zard

  DOI：10.1016/s0040-4039(00)00886-8

  日期：2000.7

  Various complex structures can be attached to a polystyrene oligomer using the simple but powerful xanthate transfer technology; the material obtained is soluble in many of the common organic solvents allowing further reactions under homogeneous conditions, but can be precipitated with methanol making this technique especially suitable for conducting parallel syntheses. (C) 2000 Elsevier Science Ltd. All rights reserved.