7β,9α,14β-triacetoxy-3β-benzoyloxy-12β,15β-epoxy-11β-hydroxyjatropha-5E-ene | 1016572-83-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 7β,9α,14β-triacetoxy-3β-benzoyloxy-12β,15β-epoxy-11β-hydroxyjatropha-5E-ene
• 英文别名: euphoheliosnoid E；[(1R,3S,4S,5S,6E,8R,10R,12S,13S,14S,15S)-8,10,15-triacetyloxy-12-hydroxy-3,7,11,11,14-pentamethyl-16-oxatricyclo[11.2.1.01,5]hexadec-6-en-4-yl] benzoate
• CAS: 1016572-83-0
• 化学式: C₃₃H₄₄O₁₀
• 分子量: 600.706
• InChiKey: MATMMZLIQOKUNK-QUOFPCSNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  43
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  135
• 氢给体数：
  1
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  7β,9α,14β-triacetoxy-3β-benzoyloxy-12β,15β-epoxy-11β-hydroxyjatropha-5E-ene 在 吡啶 、 乙酸酐 作用下， 反应 24.0h， 以0.6 mg的产率得到[(1R,3S,4S,5S,6E,8R,10R,12S,13S,14S,15S)-8,10,12,15-tetraacetyloxy-3,7,11,11,14-pentamethyl-16-oxatricyclo[11.2.1.01,5]hexadec-6-en-4-yl] benzoate
  参考文献：
  名称：

  Cytotoxic Diterpenoids from Euphorbia helioscopia

  摘要：

  Four new jatrophane-type diterpenoids (1-4), together with 16 known related compounds, were isolated from the Chinese medicinal plant Euphorbia helioscopia. The structures of 1-4 were determined on the basis of spectroscopic and chemical methods. Cytotoxicity of the isolated compounds against HeLa and MDA-MB-231 cells was evaluated, with only helioscopinolide A (5) and euphornin (3a) being active.

  DOI：

  10.1021/np0706163