(3aR,4S,6S,7S,7aS)-6-(((3S,7R,9S,9aR)-5-hydroxy-3,6,9-trimethyl-7-(2-methylprop-1-en-1-yl)-2,3,7,8,9,9a-hexahydro-1H-phenalen-4-yl)oxy)-2-(4-methoxyphenyl)-4-methyltetrahydro-4H-[1,3]dioxolo[4,5-c]pyran-7-ol | 1206481-66-4

• 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: (3aR,4S,6S,7S,7aS)-6-(((3S,7R,9S,9aR)-5-hydroxy-3,6,9-trimethyl-7-(2-methylprop-1-en-1-yl)-2,3,7,8,9,9a-hexahydro-1H-phenalen-4-yl)oxy)-2-(4-methoxyphenyl)-4-methyltetrahydro-4H-[1,3]dioxolo[4,5-c]pyran-7-ol
• CAS: 1206481-66-4
• 化学式: C₃₄H₄₄O₇
• 分子量: 564.719
• InChiKey: QRAMVUCTXNGDFY-FSLUHRHFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.75
• 重原子数：
  41.0
• 可旋转键数：
  5.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  86.61
• 氢给体数：
  2.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  (3aR,4S,6S,7S,7aS)-6-(((3S,7R,9S,9aR)-5-hydroxy-3,6,9-trimethyl-7-(2-methylprop-1-en-1-yl)-2,3,7,8,9,9a-hexahydro-1H-phenalen-4-yl)oxy)-2-(4-methoxyphenyl)-4-methyltetrahydro-4H-[1,3]dioxolo[4,5-c]pyran-7-ol 在 碘苯二乙酸 、 三氟乙酸 作用下， 以 硝基甲烷 、 二氯甲烷 为溶剂， 反应 0.5h， 以54%的产率得到
  参考文献：
  名称：

  Exploration and determination of the redox properties of the pseudopterosin class of marine natural products

  摘要：

  We describe herein the redox chemistry of the pseudopterosin class of marine natural products. Known for their anti-inflammatory and wound healing properties, their chemistry has largely gone unexplored. Details of both voltammetric and preparative scale experiments are provided and speculation is provided concerning the potential role of electron transfer chemistry in the expression of pseudopterosin bioactivity. (c) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2009.09.021
• 作为产物：
  描述：

  iso-PsE 、 4-甲氧基苯甲醛二甲缩醛 在 camphor-10-sulfonic acid 作用下， 以 二氯甲烷 为溶剂， 反应 24.0h， 以71%的产率得到(3aR,4S,6S,7S,7aS)-6-(((3S,7R,9S,9aR)-5-hydroxy-3,6,9-trimethyl-7-(2-methylprop-1-en-1-yl)-2,3,7,8,9,9a-hexahydro-1H-phenalen-4-yl)oxy)-2-(4-methoxyphenyl)-4-methyltetrahydro-4H-[1,3]dioxolo[4,5-c]pyran-7-ol
  参考文献：
  名称：

  Exploration and determination of the redox properties of the pseudopterosin class of marine natural products

  摘要：

  We describe herein the redox chemistry of the pseudopterosin class of marine natural products. Known for their anti-inflammatory and wound healing properties, their chemistry has largely gone unexplored. Details of both voltammetric and preparative scale experiments are provided and speculation is provided concerning the potential role of electron transfer chemistry in the expression of pseudopterosin bioactivity. (c) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2009.09.021