2-[(1R,3S,4S,8R,12S,14R,18S,20R,21S,24R,27S,28S,29S,33S,34S,37R,38S,39R,41R,44S)-38-chloro-27,39-dimethoxy-16,16,21,31,31,34,44-heptamethyl-6-oxo-2,5,15,17,30,32,45,46,47,48,50-undecaoxanonacyclo[39.3.1.11,4.18,12.114,18.120,24.124,28.137,41.029,33]henpentacont-22-en-3-yl]acetaldehyde | 1033004-00-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-[(1R,3S,4S,8R,12S,14R,18S,20R,21S,24R,27S,28S,29S,33S,34S,37R,38S,39R,41R,44S)-38-chloro-27,39-dimethoxy-16,16,21,31,31,34,44-heptamethyl-6-oxo-2,5,15,17,30,32,45,46,47,48,50-undecaoxanonacyclo[39.3.1.11,4.18,12.114,18.120,24.124,28.137,41.029,33]henpentacont-22-en-3-yl]acetaldehyde
• CAS: 1033004-00-0
• 化学式: C₅₁H₇₉ClO₁₅
• 分子量: 967.632
• InChiKey: UIAKXAVJRICCAY-QHAAZJLWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  67
• 可旋转键数：
  4
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  154
• 氢给体数：
  0
• 氢受体数：
  15

反应信息

• 作为反应物：
  描述：

  2-[(1R,3S,4S,8R,12S,14R,18S,20R,21S,24R,27S,28S,29S,33S,34S,37R,38S,39R,41R,44S)-38-chloro-27,39-dimethoxy-16,16,21,31,31,34,44-heptamethyl-6-oxo-2,5,15,17,30,32,45,46,47,48,50-undecaoxanonacyclo[39.3.1.11,4.18,12.114,18.120,24.124,28.137,41.029,33]henpentacont-22-en-3-yl]acetaldehyde 、 亚甲基三苯基膦烷 以 四氢呋喃 为溶剂， 以75%的产率得到(1R,3S,4S,8R,12S,14R,18S,20R,21S,24R,27S,28S,29S,33S,34S,37R,38S,39R,41R,44S)-38-chloro-27,39-dimethoxy-16,16,21,31,31,34,44-heptamethyl-3-prop-2-enyl-2,5,15,17,30,32,45,46,47,48,50-undecaoxanonacyclo[39.3.1.11,4.18,12.114,18.120,24.124,28.137,41.029,33]henpentacont-22-en-6-one
  参考文献：
  名称：

  螺旋藻内酯A甲酯的全合成-第2部分：亚基结合和合成完成。

  摘要：

  DOI：

  10.1002/anie.200705566
• 作为产物：
  描述：

  (1R,3S,4S,8R,12S,14R,18S,20R,21S,24R,27S,28S,29S,33S,34S,37R,38S,39R,41R,44S)-38-chloro-3-(2-hydroxyethyl)-27,39-dimethoxy-16,16,21,31,31,34,44-heptamethyl-2,5,15,17,30,32,45,46,47,48,50-undecaoxanonacyclo[39.3.1.11,4.18,12.114,18.120,24.124,28.137,41.029,33]henpentacont-22-en-6-one 在 碳酸氢钠 、 戴斯-马丁氧化剂 作用下， 以 二氯甲烷 为溶剂， 以80%的产率得到2-[(1R,3S,4S,8R,12S,14R,18S,20R,21S,24R,27S,28S,29S,33S,34S,37R,38S,39R,41R,44S)-38-chloro-27,39-dimethoxy-16,16,21,31,31,34,44-heptamethyl-6-oxo-2,5,15,17,30,32,45,46,47,48,50-undecaoxanonacyclo[39.3.1.11,4.18,12.114,18.120,24.124,28.137,41.029,33]henpentacont-22-en-3-yl]acetaldehyde
  参考文献：
  名称：

  螺旋藻内酯A甲酯的全合成-第2部分：亚基结合和合成完成。

  摘要：

  DOI：

  10.1002/anie.200705566

文献信息

• Total Synthesis of Spirastrellolide A Methyl Ester—Part 2: Subunit Union and Completion of the Synthesis
  作者：Ian Paterson、Edward A. Anderson、Stephen M. Dalby、Jong Ho Lim、Julien Genovino、Philip Maltas、Christian Moessner

  DOI：10.1002/anie.200705566

  日期：2008.4.7