ent-(1¹¹S,5R)-1¹β,1⁶α,1⁸β,1¹⁴-tetraacetoxy-1⁹β-(2-acetoxy-2-methyl-propionyloxy)-1^5,11-epoxy-1²β,1⁴-dihydroxy-5r,6t-dimethyl-(1³βH,1⁷βH)-2,8-dioxa-1(12,3)-eudesmana-4(3,2)-pyridina-cyclooctaphane-3,7-dione | 68419-27-2

• 分子结构分类: 有机化合物 - 生物碱及其衍生物
• 英文名称: ent-(1¹¹S,5R)-1¹β,1⁶α,1⁸β,1¹⁴-tetraacetoxy-1⁹β-(2-acetoxy-2-methyl-propionyloxy)-1^5,11-epoxy-1²β,1⁴-dihydroxy-5r,6t-dimethyl-(1³βH,1⁷βH)-2,8-dioxa-1(12,3)-eudesmana-4(3,2)-pyridina-cyclooctaphane-3,7-dione
• 英文别名: 8α-acetoxy-O⁹-(2-acetoxy-2-methyl-propionyl)-O²,O⁹-dideacetyl-8-deoxo-evonine；[(1S,3R,13S,14S,17S,18R,19R,20S,21S,22R,23R,24R,25S)-19,22,24-triacetyloxy-20-(acetyloxymethyl)-18,25-dihydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.01,20.03,23.07,12]pentacosa-7(12),8,10-trien-21-yl] 2-acetyloxy-2-methylpropanoate
• CAS: 68419-27-2
• 化学式: C₄₀H₅₁NO₁₉
• 分子量: 849.84
• InChiKey: PHMUWXREOIQYRC-OCGYKSMSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  60
• 可旋转键数：
  14
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  273
• 氢给体数：
  2
• 氢受体数：
  20

反应信息

• 作为反应物：
  描述：

  ent-(1¹¹S,5R)-1¹β,1⁶α,1⁸β,1¹⁴-tetraacetoxy-1⁹β-(2-acetoxy-2-methyl-propionyloxy)-1^5,11-epoxy-1²β,1⁴-dihydroxy-5r,6t-dimethyl-(1³βH,1⁷βH)-2,8-dioxa-1(12,3)-eudesmana-4(3,2)-pyridina-cyclooctaphane-3,7-dione 在 甲醇 、 二乙胺 作用下， 生成 ent-(1¹¹S,5R)-1⁶α-acetoxy-1⁹β-(2-acetoxy-2-methyl-propionyloxy)-1^5,11-epoxy-1¹β,1²β,1⁴,1⁸β,1¹⁴-pentahydroxy-5r,6t-dimethyl-(1³βH,1⁷βH)-2,8-dioxa-1(12,3)-eudesmana-4(3,2)-pyridina-cyclooctaphane-3,7-dione
  参考文献：
  名称：

  Crombie,L. et al., Journal of the Chemical Society. Perkin transactions I, 1979, p. 2976 - 2981

  摘要：

  DOI：