(20R,22R)-6β-acetoxy-25-hydroxy-2β,3β:20,22-bis-(isopropylidenedioxy)-5α-cholest-8(14)-ene | 1266017-03-1

• 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: (20R,22R)-6β-acetoxy-25-hydroxy-2β,3β:20,22-bis-(isopropylidenedioxy)-5α-cholest-8(14)-ene
• CAS: 1266017-03-1
• 化学式: C₃₅H₅₆O₇
• 分子量: 588.825
• InChiKey: WQOYWJQNQBHWMW-AVWIMHHLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.84
• 重原子数：
  42.0
• 可旋转键数：
  5.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  83.45
• 氢给体数：
  1.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  (20R,22R)-6β-acetoxy-25-hydroxy-2β,3β:20,22-bis-(isopropylidenedioxy)-5α-cholest-8(14)-ene 在 palladium 10% on activated carbon 、 氢气 作用下， 以 乙醇 为溶剂， 反应 96.0h， 以37%的产率得到(20R,22R)-6β-acetoxy-2β,3β,25-trihydroxy-20,22-(isopropylidenedioxy)-5α-cholest-8(14)-ene
  参考文献：
  名称：

  Δ8(14)-14α-deoxy- and 14α-deoxy-14α-hydroperoxyecdysteroids

  摘要：

  Delta(8(14))-14 alpha-deoxy-and 14 alpha-deoxy-14 alpha-hydroperoxyecdysteroids were synthesized, the reduction of Delta(8(14))-14 alpha-deoxy-20-hydroxyecdysone diacetonide at treatment with complex hydrides of alkali metals was investigated, and the stereochemistry of the obtained 6-hydroxy derivative and its acetate was established.

  DOI：

  10.1134/s1070428010110205
• 作为产物：
  描述：

  脱皮甾酮 2,3:20,22-二缩丙酮 在 4-二甲氨基吡啶 、 sodium tetrahydroborate 、 氨 、 lithium 作用下， 以 四氢呋喃 、 吡啶 、 甲醇 为溶剂， 反应 4.5h， 生成 (20R,22R)-6β-acetoxy-25-hydroxy-2β,3β:20,22-bis-(isopropylidenedioxy)-5α-cholest-8(14)-ene
  参考文献：
  名称：

  Δ8(14)-14α-deoxy- and 14α-deoxy-14α-hydroperoxyecdysteroids

  摘要：

  Delta(8(14))-14 alpha-deoxy-and 14 alpha-deoxy-14 alpha-hydroperoxyecdysteroids were synthesized, the reduction of Delta(8(14))-14 alpha-deoxy-20-hydroxyecdysone diacetonide at treatment with complex hydrides of alkali metals was investigated, and the stereochemistry of the obtained 6-hydroxy derivative and its acetate was established.

  DOI：

  10.1134/s1070428010110205