((2R,4aR,6aR,9S,11aS,11bR)-2-hydroxy-11b-methyl-8-methylenetetradecahydro-6a,9-methanocyclohepta[a]naphthalene-4,4-diyl)bis(methylene) diacetate | 151563-60-9

• 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: ((2R,4aR,6aR,9S,11aS,11bR)-2-hydroxy-11b-methyl-8-methylenetetradecahydro-6a,9-methanocyclohepta[a]naphthalene-4,4-diyl)bis(methylene) diacetate
• CAS: 151563-60-9
• 化学式: C₂₄H₃₆O₅
• 分子量: 404.547
• InChiKey: MLTFYPGYUSCNOW-VRBBIHERSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.03
• 重原子数：
  29.0
• 可旋转键数：
  4.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  72.83
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  ((2R,4aR,6aR,9S,11aS,11bR)-2-hydroxy-11b-methyl-8-methylenetetradecahydro-6a,9-methanocyclohepta[a]naphthalene-4,4-diyl)bis(methylene) diacetate 生成 (R)-(-)-2-苯基丁酸
  参考文献：
  名称：

  Diterpenes from Psiadia arabica

  摘要：

  Three new kaurene diterpenes were isolated from the aerial parts of Psiadia arabica. The structures and absolute stereochemistries of these compounds were determined from their spectral data and chemical transformations; X-ray crystallographic analysis provided unambiguous characterization of one of the diterpenes.

  DOI：

  10.1016/0031-9422(93)80032-n
• 作为产物：
  描述：

  psiadin 在 吡啶 、 sodium tetrahydroborate 作用下， 以 乙醚 为溶剂， 反应 3.5h， 生成 ((2R,4aR,6aR,9S,11aS,11bR)-2-hydroxy-11b-methyl-8-methylenetetradecahydro-6a,9-methanocyclohepta[a]naphthalene-4,4-diyl)bis(methylene) diacetate
  参考文献：
  名称：

  Diterpenes from Psiadia arabica

  摘要：

  Three new kaurene diterpenes were isolated from the aerial parts of Psiadia arabica. The structures and absolute stereochemistries of these compounds were determined from their spectral data and chemical transformations; X-ray crystallographic analysis provided unambiguous characterization of one of the diterpenes.

  DOI：

  10.1016/0031-9422(93)80032-n