2-acetoxy-10β-hydroxy-3-oxo-eremophila-1,11(13)-dien-12-oic acid methylester | 138940-05-3

• 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: 2-acetoxy-10β-hydroxy-3-oxo-eremophila-1,11(13)-dien-12-oic acid methylester
• 英文别名: methyl 2-[(2R,4aR,8R,8aR)-6-acetyloxy-4a-hydroxy-8,8a-dimethyl-7-oxo-2,3,4,8-tetrahydro-1H-naphthalen-2-yl]prop-2-enoate
• CAS: 138940-05-3
• 化学式: C₁₈H₂₄O₆
• 分子量: 336.385
• InChiKey: UIENBLMRTCAUOH-LTOZTIEFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  89.9
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-acetoxy-10β-hydroperoxy-3-oxo-eremophila-1,11(13)-dien-12-oic acid methylester 在 三苯基膦 作用下， 以 氘代氯仿 为溶剂， 生成 2-acetoxy-10β-hydroxy-3-oxo-eremophila-1,11(13)-dien-12-oic acid methylester
  参考文献：
  名称：

  Eremophilane derivatives and other constituents from Haeckeria species and further Australian inuleae

  摘要：

  From the aerial parts of two Haeckeria species, in addition to known compounds, 19 new eremophilan-12-oic acids, one being a seco-nor derivative, two eudesman-12-oic acids and three germacran-12-oic acids were isolated. The other species only gave known compounds which in part are of taxonomic relevance. The structures were elucidated by high field NMR spectroscopy. The chemotaxonomic aspects are discussed briefly.

  DOI：

  10.1016/0031-9422(91)85114-f