(3Z,11Z,16Z)-(5S,6S,7R,8R,9S,13S,14S,15S)-8,14-Bis-(tert-butyl-dimethyl-silanyloxy)-19-(3-chloro-phenyl)-5,7,9,11,13,15-hexamethyl-nonadeca-1,3,11,16-tetraen-6-ol | 706815-57-8

• 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: (3Z,11Z,16Z)-(5S,6S,7R,8R,9S,13S,14S,15S)-8,14-Bis-(tert-butyl-dimethyl-silanyloxy)-19-(3-chloro-phenyl)-5,7,9,11,13,15-hexamethyl-nonadeca-1,3,11,16-tetraen-6-ol
• CAS: 706815-57-8
• 化学式: C₄₃H₇₅ClO₃Si₂
• 分子量: 731.691
• InChiKey: ZPTAONJSYLXAFP-KSKBZOIUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.23
• 重原子数：
  49.0
• 可旋转键数：
  19.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  38.69
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  (3Z,11Z,16Z)-(5S,6S,7R,8R,9S,13S,14S,15S)-8,14-Bis-(tert-butyl-dimethyl-silanyloxy)-19-(3-chloro-phenyl)-5,7,9,11,13,15-hexamethyl-nonadeca-1,3,11,16-tetraen-6-ol 在 盐酸 、 甲醇 、 potassium carbonate 作用下， 以 甲醇 为溶剂， 生成 Carbamic acid (6Z,11Z)-(1S,2S,3R,4S,8S,9S,10S)-14-(3-chloro-phenyl)-3,9-dihydroxy-2,4,6,8,10-pentamethyl-1-((Z)-(S)-1-methyl-penta-2,4-dienyl)-tetradeca-6,11-dienyl ester
  参考文献：
  名称：

  Design, synthesis and cytotoxicity of 7-deoxy aryl discodermolide analogues

  摘要：

  A series of 7-deoxy discodermolide analogues in which the lactone fragment 'C' was replaced by aryl substituents were designed, synthesized, and evaluated for cytotoxicity. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.01.102
• 作为产物：
  描述：

  3-(3-氯苯基)-1-丙醇 在 咪唑 、 正丁基锂 、 碘 、 三苯基膦 作用下， 以 甲苯 为溶剂， 生成 (3Z,11Z,16Z)-(5S,6S,7R,8R,9S,13S,14S,15S)-8,14-Bis-(tert-butyl-dimethyl-silanyloxy)-19-(3-chloro-phenyl)-5,7,9,11,13,15-hexamethyl-nonadeca-1,3,11,16-tetraen-6-ol
  参考文献：
  名称：

  Design, synthesis and cytotoxicity of 7-deoxy aryl discodermolide analogues

  摘要：

  A series of 7-deoxy discodermolide analogues in which the lactone fragment 'C' was replaced by aryl substituents were designed, synthesized, and evaluated for cytotoxicity. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.01.102