3β-benzoylolean-11-en-13β,28-olide | 142279-35-4

• 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: 3β-benzoylolean-11-en-13β,28-olide
• 英文别名: [(1S,4S,5R,8R,10S,13S,14R,17S,18R)-4,5,9,9,13,20,20-heptamethyl-23-oxo-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl] benzoate
• CAS: 142279-35-4
• 化学式: C₃₇H₅₀O₄
• 分子量: 558.802
• InChiKey: OHCXNUWMCPINPI-UHFQUMJRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.3
• 重原子数：
  41
• 可旋转键数：
  3
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3β-benzoylolean-11-en-13β,28-olide 在 氢氧化钾 作用下， 以 甲醇 为溶剂， 以14 mg的产率得到3β-hydroxy olean-11-en-28->13 oate
  参考文献：
  名称：

  Oleanane benzoates from the bark of Ploiarium alternifolium

  摘要：

  Two triterpenoid benzoates, 3-beta-benzoyloxyoleana-11,13(18)-dien-28-oic acid, characterized as its methyl ester, and 3-beta-benzoyloxyolean-11-en-13-beta,28-olide have been isolated from the bark of Ploiarium alternifolium. Their structures were determined by spectroscopic methods and by chemical correlation with known compounds.

  DOI：

  10.1016/0031-9422(92)80283-k

文献信息

• Oleanane benzoates from the bark of Ploiarium alternifolium
  作者：Graham J Bennett、Leslie J Harrison、Guat-Lee Sia、Keng-Yeow Sim、Joseph D Connolly

  DOI：10.1016/0031-9422(92)80283-k

  日期：1992.4

  Two triterpenoid benzoates, 3-beta-benzoyloxyoleana-11,13(18)-dien-28-oic acid, characterized as its methyl ester, and 3-beta-benzoyloxyolean-11-en-13-beta,28-olide have been isolated from the bark of Ploiarium alternifolium. Their structures were determined by spectroscopic methods and by chemical correlation with known compounds.