(1R,2R,4aR,5S,8R,8aR)-8-isopropyl-2,5-dimethylperhydronaphthalene-1,2,5-triol | 774595-97-0

• 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: (1R,2R,4aR,5S,8R,8aR)-8-isopropyl-2,5-dimethylperhydronaphthalene-1,2,5-triol
• 英文别名: (1R,2R,4aR,5S,8R,8aR)-2,5-dimethyl-8-propan-2-yl-1,3,4,4a,6,7,8,8a-octahydronaphthalene-1,2,5-triol
• CAS: 774595-97-0
• 化学式: C₁₅H₂₈O₃
• 分子量: 256.386
• InChiKey: MOTZIEZYHAAEBY-LWGJEFJTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  60.7
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (1R,2R,4aR,5S,8R,8aR)-8-isopropyl-2,5-dimethylperhydronaphthalene-1,2,5-triol 在 对甲苯磺酰氯 作用下， 以 苯 为溶剂， 以64%的产率得到(1S,3S,6R,7R,8R,11R)-6-isopropyl-1,3-dimethyl-2-oxatricyclo[5.3.1.0^3,8]undecan-11-ol
  参考文献：
  名称：

  Functionalization of the Allyl Fragment in (+)- -Cadinol

  摘要：

  Epoxidation, bromination, and iodination of the double bond in (+)-delta-cadinol under various conditions are accompanied by formation of 1,4- or 1,5-epoxy derivatives. By contrast, vicinal hydroxylation gives rise to "normal" products. Intramolecular cyclization of the resulting vicinal diols was studied.

  DOI：

  10.1023/b:rujo.0000034967.56553.3e
• 作为产物：
  描述：

  (2R,4aR,5S,8R,8aR)-2,5-dihydroxy-8-isopropyl-2,5-dimethylperhydronaphthalen-1-one 在 sodium tetrahydroborate 作用下， 以 乙醇 为溶剂， 以64%的产率得到(1R,2R,4aR,5S,8R,8aR)-8-isopropyl-2,5-dimethylperhydronaphthalene-1,2,5-triol
  参考文献：
  名称：

  Functionalization of the Allyl Fragment in (+)- -Cadinol

  摘要：

  Epoxidation, bromination, and iodination of the double bond in (+)-delta-cadinol under various conditions are accompanied by formation of 1,4- or 1,5-epoxy derivatives. By contrast, vicinal hydroxylation gives rise to "normal" products. Intramolecular cyclization of the resulting vicinal diols was studied.

  DOI：

  10.1023/b:rujo.0000034967.56553.3e