Cholane-3,7-diol, 24-iodo-, diformate, (3a,5b,7b)- | 878043-13-1

• 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: Cholane-3,7-diol, 24-iodo-, diformate, (3a,5b,7b)-
• 英文别名: 3α,7β-diformyloxy-5β-24-iodo-cholane
• CAS: 878043-13-1
• 化学式: C₂₆H₄₁IO₄
• 分子量: 544.514
• InChiKey: WNHHOJCQNCLKCO-KRCSRCIFSA-N

物化性质

• 沸点：
  541.8±29.0 °C(Predicted)
• 密度：
  1.32±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.19
• 重原子数：
  31.0
• 可旋转键数：
  8.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  52.6
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  Cholane-3,7-diol, 24-iodo-, diformate, (3a,5b,7b)- 在 碘代三甲硅烷 作用下， 以 二氯甲烷 为溶剂， 反应 34.0h， 生成 3α,7β-dihydroxy-5β-cholane-24-phosphonic acid
  参考文献：
  名称：

  Synthesis and in vitro cholesterol dissolution by 23- and 24-phosphonobile acids

  摘要：

  A new class of 23- and 24-phosphonobile acids have been synthesized from bile acid and their in vitro cholesterol-dissolving efficiency have been estimated. 24-Phosphonobile salts (PBSs) are slightly more efficient in solubilizing cholesterol than 23-PBSs and natural bile salts. The cholesterol solubilizing power is influenced by the structure of PBSs, and is considerably reduced with an increase in the bulk pH. ((c) 2005 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.steroids.2005.03.008
• 作为产物：
  描述：

  3α,7β-diformyloxy-5β-24-hydroxy-cholane 在 咪唑 、 碘 、 三苯基膦 作用下， 以 二氯甲烷 为溶剂， 反应 36.0h， 以86%的产率得到Cholane-3,7-diol, 24-iodo-, diformate, (3a,5b,7b)-
  参考文献：
  名称：

  Synthesis and in vitro cholesterol dissolution by 23- and 24-phosphonobile acids

  摘要：

  A new class of 23- and 24-phosphonobile acids have been synthesized from bile acid and their in vitro cholesterol-dissolving efficiency have been estimated. 24-Phosphonobile salts (PBSs) are slightly more efficient in solubilizing cholesterol than 23-PBSs and natural bile salts. The cholesterol solubilizing power is influenced by the structure of PBSs, and is considerably reduced with an increase in the bulk pH. ((c) 2005 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.steroids.2005.03.008