19-Jodcholest-5-en-3-α-ol-acetat | 71826-24-9

• 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: 19-Jodcholest-5-en-3-α-ol-acetat
• 英文别名: [(3R,8S,9S,10S,13R,14S,17R)-10-(iodomethyl)-13-methyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
• CAS: 71826-24-9
• 化学式: C₂₉H₄₇IO₂
• 分子量: 554.595
• InChiKey: LVQSCLBKGHGMFF-PPISAJTKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.9
• 重原子数：
  32
• 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：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  19-Jodcholest-5-en-3-α-ol-acetat 在 sodium hydroxide 作用下， 以 甲醇 为溶剂， 生成 19-Jodcholest-5-en-3-α-ol
  参考文献：
  名称：

  Synthesis of iodine-131 labelled 6β-iodomethyl-19-norcholest-5(10)-en-3α-ol and 19-iodocholest-5-en-3α-ol

  摘要：

  6β-Iodomethyl-19-norcholest-5(10)-en-3α-ol (VI) was synthesized by the homoallylic rearrangement of 19-iodocholest-5-en-3α-ol (V), which was obtained by the hydrolysis of 19-iodocholest-5-en-3α-ol acetate derived from the displacement of cholest-5-ene-3α,19-diol 3-acetate 19-toluene-p-sulfonate with sodium iodide in isopropanol. The radioiodinated V and VI were prepared by isotope exchange with sodium iodide-I-131 in acetone.

  DOI：

  10.1002/jlcr.2580160204
• 作为产物：
  描述：

  Cholest-5-en-3α.19-diol-3-acetat-19-p-toluolsulfonat 在 sodium iodide 作用下， 以 异丙醇 为溶剂， 生成 19-Jodcholest-5-en-3-α-ol-acetat
  参考文献：
  名称：

  Synthesis of iodine-131 labelled 6β-iodomethyl-19-norcholest-5(10)-en-3α-ol and 19-iodocholest-5-en-3α-ol

  摘要：

  6β-Iodomethyl-19-norcholest-5(10)-en-3α-ol (VI) was synthesized by the homoallylic rearrangement of 19-iodocholest-5-en-3α-ol (V), which was obtained by the hydrolysis of 19-iodocholest-5-en-3α-ol acetate derived from the displacement of cholest-5-ene-3α,19-diol 3-acetate 19-toluene-p-sulfonate with sodium iodide in isopropanol. The radioiodinated V and VI were prepared by isotope exchange with sodium iodide-I-131 in acetone.

  DOI：

  10.1002/jlcr.2580160204