3α-acetoxy-24-bromo-12α-hydroxy-5β-cholane | 197784-21-7

• 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: 3α-acetoxy-24-bromo-12α-hydroxy-5β-cholane
• CAS: 197784-21-7
• 化学式: C₂₆H₄₃BrO₃
• 分子量: 483.53
• InChiKey: SVHIVBPLSRZEPX-UVVIOMTNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.36
• 重原子数：
  30.0
• 可旋转键数：
  5.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.96
• 拓扑面积：
  46.53
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  3α-acetoxy-24-bromo-12α-hydroxy-5β-cholane 在 sodium hydroxide 、 sodium methylate 、 硫脲 作用下， 反应 44.0h， 生成 (4R,8R)-4,8-bis[(3α,12α-dihydroxy-5β-cholan-24-thiomethyl)]-1,5,7-triazabicycle[4.4.0]-5-decene hydrochloride
  参考文献：
  名称：

  Synthetic receptors for uronic acid salts based on bicyclic guanidinium and deoxycholic acid subunits

  摘要：

  Four receptors for uronic acid salts have been prepared using a chiral bicyclic guanidinium unit and deoxycholic acid derivatives as building blocks. Binding constants in CD3CN/CDCl3 ranged from 3200 to 7000 M-1 for glucuronate and galacturonate salts. Nordeoxycholic-containing receptors were found more efficient and moderately selective for glucuronic salts. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(97)00834-x
• 作为产物：
  描述：

  deoxycholic acid 3-acetate 在 N-溴代丁二酰亚胺(NBS) 、 三氟化硼四氢呋喃络合物 、 三苯基膦 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 56.0h， 生成 3α-acetoxy-24-bromo-12α-hydroxy-5β-cholane
  参考文献：
  名称：

  Synthetic receptors for uronic acid salts based on bicyclic guanidinium and deoxycholic acid subunits

  摘要：

  Four receptors for uronic acid salts have been prepared using a chiral bicyclic guanidinium unit and deoxycholic acid derivatives as building blocks. Binding constants in CD3CN/CDCl3 ranged from 3200 to 7000 M-1 for glucuronate and galacturonate salts. Nordeoxycholic-containing receptors were found more efficient and moderately selective for glucuronic salts. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(97)00834-x

文献信息

• Synthetic receptors for uronic acid salts based on bicyclic guanidinium and deoxycholic acid subunits
  作者：Margot Segura、Victoria Alcázar、Pilar Prados、Javier de Mendoza

  DOI：10.1016/s0040-4020(97)00834-x

  日期：1997.9

  Four receptors for uronic acid salts have been prepared using a chiral bicyclic guanidinium unit and deoxycholic acid derivatives as building blocks. Binding constants in CD3CN/CDCl3 ranged from 3200 to 7000 M-1 for glucuronate and galacturonate salts. Nordeoxycholic-containing receptors were found more efficient and moderately selective for glucuronic salts. (C) 1997 Elsevier Science Ltd.