[(4aR,5S,6R,6aS,7R,11aS,11bR)-5-hydroxy-4,4a,7,11b-tetramethyl-1,2,5,6,6a,7,11,11a-octahydronaphtho[2,1-f][1]benzofuran-6-yl] benzoate | 1384606-80-7

• 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: [(4aR,5S,6R,6aS,7R,11aS,11bR)-5-hydroxy-4,4a,7,11b-tetramethyl-1,2,5,6,6a,7,11,11a-octahydronaphtho[2,1-f][1]benzofuran-6-yl] benzoate
• CAS: 1384606-80-7
• 化学式: C₂₇H₃₂O₄
• 分子量: 420.549
• InChiKey: LDMRNBYLTFRXLD-VUFUHALTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  31
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  59.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  7β-acetyl-6β-hydroxyisovouacapenol C 在 三氟化硼乙醚 作用下， 以 二氯甲烷 为溶剂， 反应 0.25h， 以66%的产率得到[(4aR,5S,6R,6aS,7R,11aS,11bR)-5-hydroxy-4,4a,7,11b-tetramethyl-1,2,5,6,6a,7,11,11a-octahydronaphtho[2,1-f][1]benzofuran-6-yl] benzoate
  参考文献：
  名称：

  Interesting transformations of naturally occurring cassane diterpenoids and bioevaluation of the products

  摘要：

  Two cassane diterpenoids, pulcharrin G (1) and 6 beta-cinnamoyl-7 beta-hydroxy-voucapen-5-alpha-ol (2), the constituents of Caesalpinia pulcherrima, were treated with BF3 center dot OEt2 to furnish two olefinic products 3 and 4, respectively. The products were formed by elimination of water and migration of a methyl group from C-4 to C-5. The cytotoxic and antimicrobial activities of 3 and 4 were examined. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.05.032