(3R,5R,7R,9R,11R,13R,15R,17R,19R)-3,5,7,9,11,13,15,17,19-nonamethoxy-1-tetracosanal | 131435-86-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (3R,5R,7R,9R,11R,13R,15R,17R,19R)-3,5,7,9,11,13,15,17,19-nonamethoxy-1-tetracosanal
• 英文别名: (3R,5R,7R,9R,11R,13R,15R,17R,19R)-3,5,7,9,11,13,15,17,19-nonamethoxytetracosanal
• CAS: 131435-86-4
• 化学式: C₃₃H₆₆O₁₀
• 分子量: 622.881
• InChiKey: ZMYDWMWFBGUWHA-CQUOXIJUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  43
• 可旋转键数：
  31
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.97
• 拓扑面积：
  100
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  (3R,5R,7R,9R,11R,13R,15R,17R,19R)-3,5,7,9,11,13,15,17,19-nonamethoxy-1-tetracosanal 在 sodium periodate 、 lithium aluminium tetrahydride 、 对甲苯磺酸 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 乙醚 、 水 、 苯 为溶剂， 反应 2.58h， 生成 (4S,6S,8S,10S,12R,14R,16R,18R)-4,6,8,10,12,14,16,18-octamethoxy-1-tricosene
  参考文献：
  名称：

  Isotactic polymethoxy 1-alkenes from blue-green algae. Synthesis and absolute stereochemistry

  摘要：

  Novel isotactic polymethoxy-1-alkenes 1-4 were isolated from tolytoxin-producing blue-green algae belonging to the family Scytonemataceae. Scytonema mirabile produced 1 and 2, whereas 3 and 4 were isolated from S. burmanicum. The gross structures and relative stereochemistries were determined by mass and NMR spectral analyses. The absolute configurations of 1-4 were established by direct comparison with optically active synthetic samples.

  DOI：

  10.1021/jo00002a027
• 作为产物：
  描述：

  (4S,6S,8S,10S,12R,14R,16R,18R,20R)-nonamethoxy-1-pentacosene 在 sodium periodate 、 四氧化锇 作用下， 以 1,4-二氧六环 、 水 为溶剂， 以83%的产率得到(3R,5R,7R,9R,11R,13R,15R,17R,19R)-3,5,7,9,11,13,15,17,19-nonamethoxy-1-tetracosanal
  参考文献：
  名称：

  Isotactic polymethoxy 1-alkenes from blue-green algae. Synthesis and absolute stereochemistry

  摘要：

  Novel isotactic polymethoxy-1-alkenes 1-4 were isolated from tolytoxin-producing blue-green algae belonging to the family Scytonemataceae. Scytonema mirabile produced 1 and 2, whereas 3 and 4 were isolated from S. burmanicum. The gross structures and relative stereochemistries were determined by mass and NMR spectral analyses. The absolute configurations of 1-4 were established by direct comparison with optically active synthetic samples.

  DOI：

  10.1021/jo00002a027