3α,12α-dihydroxy-23-mercapto-24-nor-5β-cholane | 197784-18-2

• 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,12α-dihydroxy-23-mercapto-24-nor-5β-cholane
• 英文别名: (3R,5R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-4-sulfanylbutan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol
• CAS: 197784-18-2
• 化学式: C₂₃H₄₀O₂S
• 分子量: 380.635
• InChiKey: BRIYWDPZHBHLGL-XQNRYLPDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  26
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  41.5
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3α,12α-dihydroxy-23-mercapto-24-nor-5β-cholane 、 在 sodium methylate 作用下， 生成
  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：

  3α-acetoxy-12α-formyloxy-23-iodo-24-nor-5β-cholane 在 sodium hydroxide 、 硫脲 作用下， 生成 3α,12α-dihydroxy-23-mercapto-24-nor-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.