(20R,S)-3β-acetoxy-23,24-dinorchol-5-en-22-al | 10211-88-8

• 物质功能分类: 分析化学 - 对照品
• 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,S)-3β-acetoxy-23,24-dinorchol-5-en-22-al
• 英文别名: (20R)-22-Oxo-23,24-dinor-5-cholen-3β-yl-acetat；[(3R,8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[(2S)-1-oxopropan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate；(20R)-3β-acetoxybisnorchol-5-en-22-al
• CAS: 10211-88-8；15626-16-1；119786-32-2
• 化学式: C₂₄H₃₆O₃
• 分子量: 372.548
• InChiKey: PMIMJUQRBDTHBT-JMMSKVBZSA-N

物化性质

• 熔点：
  101-108 °C
• 沸点：
  465.6±28.0 °C(Predicted)
• 密度：
  1.08±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.33
• 重原子数：
  27.0
• 可旋转键数：
  3.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  43.37
• 氢给体数：
  0.0
• 氢受体数：
  3.0

制备方法与用途

用途

(20S)-3BETA-乙酰氧基孕甾-5-烯-20-甲醛用于生化研究、标准品对照品。

反应信息

• 作为产物：
  描述：

  (20R,S)-3β-acetoxy-23,24-dinorchol-5-en-22-al 在 aluminum oxide 作用下， 以 苯 为溶剂， 生成 (20R,S)-3β-acetoxy-23,24-dinorchol-5-en-22-al
  参考文献：
  名称：

  Synthesis of [21-2H]- and [22-2H]-derivatives of 23,24,25,26,27-pentanor-cholesterol and 23,24,25,26,27-pentanordihydrolanosterol and the stereochemical significance of the deuterium spinlattice relaxation times.

  摘要：

  The deuterated and undeuterated 21- and 22-methyl derivatives of the 23, 24, 25, 26, 27-pentanor analogs of cholesterol and dihydrolanosterol were synthesized. As starting materials, (20S)- and (20R)-3β-acetoxybisnorchol-5-en-22-oic acid and (20S)- and (20R)-3β-acetoxy-23, 24, 25, 26, 27-pentanorlanost-8-en-22-oic acid were used. The deuterium relaxation times of the two groups of compounds were measured and the relationship between the T1 values and the structures was examined.

  DOI：

  10.1248/cpb.28.1150