(25R)-3β-acetoxy-26-iodo-5α-cholestane-16,22-dione | 902762-75-8

• 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: (25R)-3β-acetoxy-26-iodo-5α-cholestane-16,22-dione
• 英文别名: (3beta,5alpha,25R)-26-Iodo-16,22-dioxocholestan-3-yl acetate；[(3S,5S,8R,9S,10S,13S,14S,17R)-17-[(2S,6R)-7-iodo-6-methyl-3-oxoheptan-2-yl]-10,13-dimethyl-16-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate
• CAS: 902762-75-8
• 化学式: C₂₉H₄₅IO₄
• 分子量: 584.578
• InChiKey: RRLHDVRBYOBXBS-VBEYQHSESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.2
• 重原子数：
  34
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  60.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  (25R)-3β-acetoxy-5α-spirostan-16α-ol 在 三甲基氯硅烷 、 4 A molecular sieve 、 sodium iodide 作用下， 以 乙腈 为溶剂， 以84%的产率得到(25R)-3β-acetoxy-26-iodo-5α-cholestane-16,22-dione
  参考文献：
  名称：

  Facile Conversion of Spirostan Saponin into Furostan Saponin:  Synthesis of Methyl Protodioscin and Its 26-Thio-analogue

  摘要：

  A facile approach for the conversion of a spirostan saponin into its furostan counterpart, as illustrated by the transformation of dioscin to methyl protodioscin (and its 26-thio-analogue), has been developed.

  DOI：

  10.1021/ol060594w

文献信息

• Facile Conversion of Spirostan Saponin into Furostan Saponin:  Synthesis of Methyl Protodioscin and Its 26-Thio-analogue
  作者：Ming Li、Biao Yu

  DOI：10.1021/ol060594w

  日期：2006.6.1

  A facile approach for the conversion of a spirostan saponin into its furostan counterpart, as illustrated by the transformation of dioscin to methyl protodioscin (and its 26-thio-analogue), has been developed.