8,8'-diapocarotene-4,8'-dial | 13832-96-7

• 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: 8,8'-diapocarotene-4,8'-dial
• 英文别名: 4,8'-diapo-ψ-carotene-4,8'-dial；(all-E)-2,6,10,15,19-pentamethyl-eicosa-2,4,6,8,10,12,14,16,18-nonaenedial；2,6,10,15,19-Pentamethyl-eicosa-2t,4t,6t,8t,10t,12t,14t,16t,18t-nonaendial；4,8'-Diapo-ψ-carotin-4,8'-dial；(2E,4E,6E,8E,10E,12E,14E,16E,18E)-2,6,10,15,19-pentamethylicosa-2,4,6,8,10,12,14,16,18-nonaenedial
• CAS: 13832-96-7
• 化学式: C₂₅H₃₀O₂
• 分子量: 362.512
• InChiKey: KGKFYLQSFWLDNK-DDGOQOKESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.2
• 重原子数：
  27
• 可旋转键数：
  10
• 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：

  8,8'-diapocarotene-4,8'-dial 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 4,4'-diapo-ψ,ψ-carotene-4,4'-dial
  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 0.83h， 生成 8,8'-diapocarotene-4,8'-dial
  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

• Carotenoids and related compounds. Part XVI. Structural and synthetic studies on spirilloxanthin, chloroxanthin, spheroidene, and spheroidenone
  作者：M. S. Barber、L. M. Jackman、P. S. Manchand、B. C. L. Weedon

  DOI：10.1039/j39660002166

  日期：——

  The structure of spirilloxanthin (rhodoviolascin) was unambiguously determined by degradative and nuclear magnetic resonance spectral studies. Similar studies indicated the structures of chloroxanthin, spheroidene (“Pigment Y”), and spheroidenone (“Pigment R”); these structures have been confirmed by total syntheses.

  通过降解和核磁共振谱研究清楚地确定了螺菌黄质（视紫红霉素）的结构。相似的研究表明，氯黄嘌呤，椭球体（“ Y颜料”）和椭球酮（“ R颜料”）的结构；这些结构已通过总合成得到证实。
• 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.