(1S,2S,5S,6R,9S,11S,13R)-5-[[(5S,7S,8S,9S)-8-ethenyl-2,2,9-trimethyl-1,6-dioxaspiro[4.4]nonan-7-yl]methyl]-1-methyl-12-oxatetracyclo[7.5.0.02,6.011,13]tetradecan-4-one | 1031406-38-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: (1S,2S,5S,6R,9S,11S,13R)-5-[[(5S,7S,8S,9S)-8-ethenyl-2,2,9-trimethyl-1,6-dioxaspiro[4.4]nonan-7-yl]methyl]-1-methyl-12-oxatetracyclo[7.5.0.02,6.011,13]tetradecan-4-one
• CAS: 1031406-38-8
• 化学式: C₂₇H₄₀O₄
• 分子量: 428.612
• InChiKey: GYSKVANPHSQQIC-KOMLWSDASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  31
• 可旋转键数：
  3
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  48.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (1S,2S,5S,6R,9S,11S,13R)-5-[[(5S,7S,8S,9S)-8-ethenyl-2,2,9-trimethyl-1,6-dioxaspiro[4.4]nonan-7-yl]methyl]-1-methyl-12-oxatetracyclo[7.5.0.02,6.011,13]tetradecan-4-one 在 sodium azide 、 水 作用下， 以 甲醇 为溶剂， 反应 5.0h， 以89%的产率得到
  参考文献：
  名称：

  Synthesis of Bis-18,18′-desmethyl Ritterazine N

  摘要：

  Bis-18,18'-desmethyl ritterazine N has been prepared in enantiomerically pure form. The synthetic alkaloid, lacking only two of the 52 carbon atoms of the natural product, shows selective activity in the NIH 60 cell panel.

  DOI：

  10.1021/jo800454w
• 作为产物：
  描述：

  (1S,2S,6S,9S,11S,13R)-1-methyl-12-oxatetracyclo[7.5.0.02,6.011,13]tetradecan-4-one 、 [(5S,7R,8S,9S)-8-ethenyl-2,2,9-trimethyl-1,6-dioxaspiro[4.4]nonan-7-yl]methyl trifluoromethanesulfonate 在 potassium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 1.5h， 以24%的产率得到(1S,2S,5S,6R,9S,11S,13R)-5-[[(5S,7S,8S,9S)-8-ethenyl-2,2,9-trimethyl-1,6-dioxaspiro[4.4]nonan-7-yl]methyl]-1-methyl-12-oxatetracyclo[7.5.0.02,6.011,13]tetradecan-4-one
  参考文献：
  名称：

  Synthesis of Bis-18,18′-desmethyl Ritterazine N

  摘要：

  Bis-18,18'-desmethyl ritterazine N has been prepared in enantiomerically pure form. The synthetic alkaloid, lacking only two of the 52 carbon atoms of the natural product, shows selective activity in the NIH 60 cell panel.

  DOI：

  10.1021/jo800454w

文献信息

• Synthesis of Bis-18,18′-desmethyl Ritterazine N
  作者：Douglass F. Taber、Jean-Michel Joerger

  DOI：10.1021/jo800454w

  日期：2008.6.1

  Bis-18,18'-desmethyl ritterazine N has been prepared in enantiomerically pure form. The synthetic alkaloid, lacking only two of the 52 carbon atoms of the natural product, shows selective activity in the NIH 60 cell panel.