[(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[tert-butyl(dimethyl)silyl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-4a-yl]methyl acetate | 197500-51-9

• 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: [(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[tert-butyl(dimethyl)silyl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-4a-yl]methyl acetate
• CAS: 197500-51-9
• 化学式: C₃₈H₆₆O₃Si
• 分子量: 599.026
• InChiKey: GPYJYPQPJZCFND-KNVKMGHGSA-N

物化性质

• 沸点：
  575.5±50.0 °C(Predicted)
• 密度：
  1.00±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  10.74
• 重原子数：
  42
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  [(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[tert-butyl(dimethyl)silyl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-4a-yl]methyl acetate 在 氢氟酸 作用下， 以 乙腈 为溶剂， 以91%的产率得到28-O-acetylerythrodiol
  参考文献：
  名称：

  Partial Synthesis of Krukovines A and B, Triterpene Ketones Isolated from the Brazilian Medicinal Plant Maytenus krukovii

  摘要：

  Krukovines A (1) and B (2): triterpene ketones isolated from the Brazilian medicinal plant ''chuchuhuasi'' (Maytenus krukovii), were synthesized in eight steps from the commercially available oleanolic acid and ursolic acid, respectively.

  DOI：

  10.1021/np9702897
• 作为产物：
  描述：

  Methyl 10-O-tert-Butyldimethylsilyl-oleanolate 在 吡啶 、 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 生成 [(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[tert-butyl(dimethyl)silyl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-4a-yl]methyl acetate
  参考文献：
  名称：

  Partial Synthesis of Krukovines A and B, Triterpene Ketones Isolated from the Brazilian Medicinal Plant Maytenus krukovii

  摘要：

  Krukovines A (1) and B (2): triterpene ketones isolated from the Brazilian medicinal plant ''chuchuhuasi'' (Maytenus krukovii), were synthesized in eight steps from the commercially available oleanolic acid and ursolic acid, respectively.

  DOI：

  10.1021/np9702897