methyl 3β-acetoxy-5-bromo-6β-hydroxy-5α-cholan-24-oate | 51467-31-3

• 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: methyl 3β-acetoxy-5-bromo-6β-hydroxy-5α-cholan-24-oate
• CAS: 51467-31-3；51467-32-4；51467-35-7
• 化学式: C₂₇H₄₃BrO₅
• 分子量: 527.539
• InChiKey: ZRQDJVCPRDQLOY-VZDBVXGNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.65
• 重原子数：
  33.0
• 可旋转键数：
  5.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  72.83
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  methyl 3β-acetoxy-5-bromo-6β-hydroxy-5α-cholan-24-oate 在 lead(IV) acetate 、 碘 作用下， 以 苯 为溶剂， 反应 6.0h， 以2.1 g的产率得到methyl 3β-acetoxy-5-bromo-6β,19-oxido-5α-cholan-24-oate
  参考文献：
  名称：

  Preparation and antigenic property of methyl 3β-hydroxy-19-oxo-5-cholen-24-oate 19-(O-carboxymethyl)oxime-bovine serum albumin conjugate

  摘要：

  The preparation and antigenic property of 3 beta-hydroxy-5-cholen-24-oic acid-bovine serum albumin (BSA) conjugate in which the hapten is linked to the carrier protein through an (O-carboxymethyl) oxime bridge at the C-19 position on the steroid nucleus is described. Antibody raised against antigen in the rabbit possessed high titer and specificity to 3 beta-hydroxy-5-cholen-24-oic acid, exhibiting no significant cross-reactions with various bile acids.

  DOI：

  10.1016/0039-128x(83)90004-1
• 作为产物：
  描述：

  methyl 3β-acetoxy-5-cholen-24-oate 在 高氯酸 、 N-溴代乙酰胺 作用下， 以 四氢呋喃 为溶剂， 反应 0.5h， 以3.2 g的产率得到methyl 3β-acetoxy-5-bromo-6β-hydroxy-5α-cholan-24-oate
  参考文献：
  名称：

  Preparation and antigenic property of methyl 3β-hydroxy-19-oxo-5-cholen-24-oate 19-(O-carboxymethyl)oxime-bovine serum albumin conjugate

  摘要：

  The preparation and antigenic property of 3 beta-hydroxy-5-cholen-24-oic acid-bovine serum albumin (BSA) conjugate in which the hapten is linked to the carrier protein through an (O-carboxymethyl) oxime bridge at the C-19 position on the steroid nucleus is described. Antibody raised against antigen in the rabbit possessed high titer and specificity to 3 beta-hydroxy-5-cholen-24-oic acid, exhibiting no significant cross-reactions with various bile acids.

  DOI：

  10.1016/0039-128x(83)90004-1