10β-hydroperoxy-3-oxo-eremophila-1,11(13)-dien-12-oic acid methylester | 138940-06-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: 10β-hydroperoxy-3-oxo-eremophila-1,11(13)-dien-12-oic acid methylester
• 英文别名: methyl 2-[(2R,4aR,8R,8aR)-4a-hydroperoxy-8,8a-dimethyl-7-oxo-2,3,4,8-tetrahydro-1H-naphthalen-2-yl]prop-2-enoate
• CAS: 138940-06-4
• 化学式: C₁₆H₂₂O₅
• 分子量: 294.348
• InChiKey: GUPQMEBQDGFGRN-UAXWRAGISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  72.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  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 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