(1R,2R,6R,7S,8S,9R)-7-ethoxy-8-methoxy-4,4,11,11-tetramethyl-3,5,10,12-tetraoxatricyclo[7.3.0.02,6]dodecane | 1158414-85-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (1R,2R,6R,7S,8S,9R)-7-ethoxy-8-methoxy-4,4,11,11-tetramethyl-3,5,10,12-tetraoxatricyclo[7.3.0.02,6]dodecane
• CAS: 1158414-85-7
• 化学式: C₁₅H₂₆O₆
• 分子量: 302.368
• InChiKey: AOVHIJWVMXLBQK-LSUSWQKBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  55.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (1R,2R,6R,7S,8S,9R)-7-ethoxy-8-methoxy-4,4,11,11-tetramethyl-3,5,10,12-tetraoxatricyclo[7.3.0.02,6]dodecane 在 水 、 三氟乙酸 作用下， 生成 (1S,2S,3S,4S,5R,6R)-5-ethoxy-6-methoxycyclohexane-1,2,3,4-tetrol
  参考文献：
  名称：

  Semi-synthetic analogs of pinitol as potential inhibitors of TNF-α cytokine expression in human neutrophils

  摘要：

  Semi-synthetic analogs of pinitol were subjected to screening by determining TNF-alpha expression in human neutrophils using flowcytometry. Among the tested compounds, three derivatives displayed more than 50% inhibition of TNF-alpha cytokine secretion in LPS induced stimulated neutrophils and can be considered as potent anti-inflammatory moieties. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.02.050
• 作为产物：
  描述：

  碘乙烷 、 1,2:5,6-双-O-(1-甲基亚乙基)-3-甲基-1D-手性肌醇 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 (1R,2R,6R,7S,8S,9R)-7-ethoxy-8-methoxy-4,4,11,11-tetramethyl-3,5,10,12-tetraoxatricyclo[7.3.0.02,6]dodecane
  参考文献：
  名称：

  Semi-synthetic analogs of pinitol as potential inhibitors of TNF-α cytokine expression in human neutrophils

  摘要：

  Semi-synthetic analogs of pinitol were subjected to screening by determining TNF-alpha expression in human neutrophils using flowcytometry. Among the tested compounds, three derivatives displayed more than 50% inhibition of TNF-alpha cytokine secretion in LPS induced stimulated neutrophils and can be considered as potent anti-inflammatory moieties. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.02.050