(2E,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,28E,30E,32E,34E)-2,6,10,14,18,23,27,31,35-nonamethylhexatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34-heptadecaenedial | 1393656-49-9

• 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: (2E,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,28E,30E,32E,34E)-2,6,10,14,18,23,27,31,35-nonamethylhexatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34-heptadecaenedial
• CAS: 1393656-49-9
• 化学式: C₄₅H₅₄O₂
• 分子量: 626.923
• InChiKey: VLBYEJWMDAIPQS-JABDYGCPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.8
• 重原子数：
  47
• 可旋转键数：
  18
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (2E,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,28E,30E,32E,34E)-2,6,10,14,18,23,27,31,35-nonamethylhexatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34-heptadecaenedial 在 对甲苯磺酸 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 0.83h， 生成 (2E,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,28E,30E,32E,34E,36E,38E)-2,6,10,14,18,23,27,31,35,39-decamethyltetraconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38-nonadecaenedial
  参考文献：
  名称：

  Electron uptake by classical electron donators: astaxanthin and carotenoid aldehydes

  摘要：

  Carotenoids are prime examples for antioxidants: they donate electrons to noxious radicals. Density functional calculations anticipate the possibility of electron uptake by carotenoids. This prediction has been confirmed experimentally: carbonyl carotenoids, including the super-antioxidant astaxanthin, easily take up electrons and react as antireductants. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.06.029
• 作为产物：
  描述：

  (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-四甲基-2,4,6,8,10,12,14-十六碳七烯二醛 在 对甲苯磺酸 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 4.15h， 生成 (2E,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,28E,30E,32E,34E)-2,6,10,14,18,23,27,31,35-nonamethylhexatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34-heptadecaenedial
  参考文献：
  名称：

  Electron uptake by classical electron donators: astaxanthin and carotenoid aldehydes

  摘要：

  Carotenoids are prime examples for antioxidants: they donate electrons to noxious radicals. Density functional calculations anticipate the possibility of electron uptake by carotenoids. This prediction has been confirmed experimentally: carbonyl carotenoids, including the super-antioxidant astaxanthin, easily take up electrons and react as antireductants. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.06.029

文献信息

• Electron uptake by classical electron donators: astaxanthin and carotenoid aldehydes
  作者：Muhammad Zeeshan、Hans-Richard Sliwka、Vassilia Partali、Ana Martínez

  DOI：10.1016/j.tetlet.2012.06.029

  日期：2012.8

  Carotenoids are prime examples for antioxidants: they donate electrons to noxious radicals. Density functional calculations anticipate the possibility of electron uptake by carotenoids. This prediction has been confirmed experimentally: carbonyl carotenoids, including the super-antioxidant astaxanthin, easily take up electrons and react as antireductants. (C) 2012 Elsevier Ltd. All rights reserved.