(3E,8E,13E)-(1R,7R,10S)-10-Isopropyl-3,7,13-trimethyl-cyclotetradeca-3,8,13-triene-1,7-diol | 185117-70-8

• 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: (3E,8E,13E)-(1R,7R,10S)-10-Isopropyl-3,7,13-trimethyl-cyclotetradeca-3,8,13-triene-1,7-diol
• 英文别名: (1R,3E,7R,8E,10S,13E)-3,7,13-trimethyl-10-propan-2-ylcyclotetradeca-3,8,13-triene-1,7-diol
• CAS: 185117-70-8
• 化学式: C₂₀H₃₄O₂
• 分子量: 306.489
• InChiKey: YAVOSCLYGFQIKY-KNMXFFLOSA-N

物化性质

• 沸点：
  433.2±45.0 °C(Predicted)
• 密度：
  0.932±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  22
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-溴苯甲酰氯 、 (3E,8E,13E)-(1R,7R,10S)-10-Isopropyl-3,7,13-trimethyl-cyclotetradeca-3,8,13-triene-1,7-diol 在 4-二甲氨基吡啶 作用下， 以 吡啶 为溶剂， 反应 24.0h， 以4.9 mg的产率得到4-Bromo-benzoic acid (2E,7E,12E)-(1R,6S,9R)-9-hydroxy-6-isopropyl-3,9,13-trimethyl-cyclotetradeca-2,7,12-trienyl ester
  参考文献：
  名称：

  Ichthyotoxic Cembranoids from the Soft Coral,Sarcophytonsp.

  摘要：

  Ten new ichthyotoxic cembranoids: sartol A (1), 4-O-methylsartol A (2), sartones A (3), B (4), C (5), D (6), 4-O-methylsartone B (7), epoxysartone A (8), 6β-hydroxysarcotol acetate (9), and 4-O-methylsarcotol (10) have been isolated from the soft coral, Sarcophyton sp. The ichthyotoxicity tests were performed for 1, 3—7, and 10, including the reduction product and the acetate of 1.

  DOI：

  10.1246/bcsj.69.3543
• 作为产物：
  描述：

  sartone A 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 以25%的产率得到(3E,8E,13E)-(1R,7R,10S)-10-Isopropyl-3,7,13-trimethyl-cyclotetradeca-3,8,13-triene-1,7-diol
  参考文献：
  名称：

  Ichthyotoxic Cembranoids from the Soft Coral,Sarcophytonsp.

  摘要：

  Ten new ichthyotoxic cembranoids: sartol A (1), 4-O-methylsartol A (2), sartones A (3), B (4), C (5), D (6), 4-O-methylsartone B (7), epoxysartone A (8), 6β-hydroxysarcotol acetate (9), and 4-O-methylsarcotol (10) have been isolated from the soft coral, Sarcophyton sp. The ichthyotoxicity tests were performed for 1, 3—7, and 10, including the reduction product and the acetate of 1.

  DOI：

  10.1246/bcsj.69.3543