7α,12α,25-trihydroxy-5β-cholestan-3-one 3-(O-carboxymethyl)oxime | 139183-20-3

• 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: 7α,12α,25-trihydroxy-5β-cholestan-3-one 3-(O-carboxymethyl)oxime
• CAS: 139183-20-3
• 化学式: C₂₉H₄₉NO₆
• 分子量: 507.711
• InChiKey: GITPYTFSMACMEN-OWUOWLSNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.62
• 重原子数：
  36.0
• 可旋转键数：
  8.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  119.58
• 氢给体数：
  4.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  7α,12α,25-trihydroxy-5β-cholestan-3-one 3-(O-carboxymethyl)oxime 在 甲醇 、 sodium hydroxide 、 2-乙氧基-1-乙氧碳酰基-1,2-二氢喹啉 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 14.5h， 生成 {2-[(5S,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-Dihydroxy-17-((R)-5-hydroxy-1,5-dimethyl-hexyl)-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-(3Z)-ylideneaminooxy]-acetylamino}-(4-hydroxy-phenyl)-acetic acid
  参考文献：
  名称：

  Radioimmunoassay of 5β-cholestane-3α,7α,12α,25-tetrol 3-glucuronide in serum of patients with cerebrotendinous xanthomatosis

  摘要：

  A rapid, convenient, and specific radioimmunoassay for 5 beta-cholestane-3 alpha,7 alpha,12 alpha,25-tetrol has been developed. Specific antiserum was obtained from rabbits immunized by the bile alcohol-bovine serum albumin conjugate, which was coupled by an (O-carboxymethyl)oxime bridge at the C-3 position. The assay produces values for serum concentrations of bile alcohol glucuronides in patients with cerebrotendinous xanthomatosis.

  DOI：

  10.1016/0039-128x(92)90093-o
• 作为产物：
  描述：

  (3R,5S,7R,8R,9S,10S,12S,13R,14S)-17-[(2R)-6-羟基-6-甲基庚烷-2-基]-10,13-二甲基-2,3,4,5,6,7,8,9,11,12,14,15,16,17-十四氢-1H-环戊二烯并[a]菲-3,7,12-三醇 在 吡啶 、 aluminum tri-tert-butoxide 作用下， 以 丙酮 、 苯 为溶剂， 反应 5.0h， 生成 7α,12α,25-trihydroxy-5β-cholestan-3-one 3-(O-carboxymethyl)oxime
  参考文献：
  名称：

  Radioimmunoassay of 5β-cholestane-3α,7α,12α,25-tetrol 3-glucuronide in serum of patients with cerebrotendinous xanthomatosis

  摘要：

  A rapid, convenient, and specific radioimmunoassay for 5 beta-cholestane-3 alpha,7 alpha,12 alpha,25-tetrol has been developed. Specific antiserum was obtained from rabbits immunized by the bile alcohol-bovine serum albumin conjugate, which was coupled by an (O-carboxymethyl)oxime bridge at the C-3 position. The assay produces values for serum concentrations of bile alcohol glucuronides in patients with cerebrotendinous xanthomatosis.

  DOI：

  10.1016/0039-128x(92)90093-o