24.24-dimethyl-5β-cholanetriol-(3α.7α.24) | 65981-34-2

• 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: 24.24-dimethyl-5β-cholanetriol-(3α.7α.24)
• 英文别名: (10S)-3t.7t-Dihydroxy-10r.13c-dimethyl-17c-((R)-4-hydroxy-1.4-dimethyl-pentyl)-(5cH.8cH.9tH.14tH)-hexadecahydro-1H-cyclopenta[a]phenanthren；3α.7α-Dihydroxy-10.13-dimethyl-17β-((R)-4-hydroxy-1.4-dimethyl-pentyl)-5β-gonan；24.24-Dimethyl-5β-cholantriol-(3α.7α.24)；24-Nor-5β-cholestan-3α,7α,25-triol
• CAS: 65981-34-2
• 化学式: C₂₆H₄₆O₃
• 分子量: 406.649
• InChiKey: AOULXRPBKYJYHR-YVEZZMRHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.16
• 重原子数：
  29.0
• 可旋转键数：
  4.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  60.69
• 氢给体数：
  3.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  24.24-dimethyl-5β-cholanetriol-(3α.7α.24) 在 吡啶 、 chromium(VI) oxide 、 氢氧化钾 、 溶剂黄146 作用下， 生成 3,7-dioxo-24-nor-5β-cholan-23-oic acid
  参考文献：
  名称：

  Ishihara, Journal of Biochemistry, 1938, vol. 27, p. 265,270

  摘要：

  DOI：
• 作为产物：
  描述：

  鹅去氧胆酸 在 硫酸 作用下， 以 四氢呋喃 、 2-甲基四氢呋喃 为溶剂， 反应 4.0h， 生成 24.24-dimethyl-5β-cholanetriol-(3α.7α.24)
  参考文献：
  名称：

  KR20230045755A

  摘要：

  公开号：

文献信息

• Metabolism of bile alcohols in the perfused rabbit liver — C26 bile alcohols
  作者：Bertram I. Cohen、Taiju Kuramoto、Marcus A. Rothschild、Robert Graham、Erwin H. Mosbach

  DOI：10.1016/0039-128x(77)90099-x

  日期：1977.10

  The metabolism of a C26 bile alcohol (I, 24-nor-5beta-cho-lestane-3alpha, 7alpha,25-triol) was studied in the isolated perfused rabbit liver. The new bile alcohol and bile acid metabolites secreted into the bile were isolated and identified by a combination of TLC, GLC and GLC-MS. The following bile alcohols were found: II, 24-nor-5beta-cholestane-3alpha,7alpha,12alpha,25-tetrol, III, 24-nor-5beta-cholestane-3alpha,7alpha,12alpha,25,26-pentol; IV, 24-nor-5beta-cholest-23-ene-3alpha,7alpha,12alpha-triol; and V, 24-nor-5beta-cholest-23-ene-3alpha,7alpha-diol. In the bile acid fraction, 24-nor-cholic acid and 3alpha,7alpha,12alpha-trihydroxy-24-nor-5beta-cholest-23-en-26-oic acid were present. The perfused nor-triol was not resistant to 12alpha-hydroxylation.