7-ketocholic acid 3-hemisuccinate | 116913-13-4

• 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: 7-ketocholic acid 3-hemisuccinate
• 英文别名: 3α-(3-carboxy-propionyloxy)-7-oxo-5β-cholan-24-oic acid；3α-(3-Carboxy-propionyloxy)-7-oxo-5β-cholan-24-saeure；(4R)-4-[(3R,5S,8R,9S,10S,13R,14S,17R)-3-(3-carboxypropanoyloxy)-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
• CAS: 116913-13-4
• 化学式: C₂₈H₄₂O₇
• 分子量: 490.637
• InChiKey: HAQSTOBUCSBWDZ-XYFAOWGXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  35
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  118
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  重氮甲烷 、 7-ketocholic acid 3-hemisuccinate 生成 3α-(3-methoxycarbonyl-propionyloxy)-7-oxo-5β-cholan-24-oic acid methyl ester
  参考文献：
  名称：

  Kanazawa et al., Nippon Kagaku Zasshi, 1955, vol. 76, p. 297,300

  摘要：

  DOI：
• 作为产物：
  描述：

  鹅去氧胆酸 在 吡啶 、 chromium(VI) oxide 、 溶剂黄146 作用下， 生成 7-ketocholic acid 3-hemisuccinate
  参考文献：
  名称：

  Kanazawa et al., Nippon Kagaku Zasshi, 1955, vol. 76, p. 297,300

  摘要：

  DOI：

文献信息

• Microwave-induced organic reactions of bile acids: Esterification, deformylation and deacetylation using mild reagents
  作者：B. Dayal、Keshava Rao、G. Salen

  DOI：10.1016/0039-128x(95)00004-a

  日期：1995.6

  An efficient and convenient procedure for the esterification, deformylation, and deacetylation of bile acids is described. This is achieved by the addition of a catalytic amount of methanesulfonic acid or para-toluene sulfonic acid to a solution of bile acid in methanol in the domestic microwave oven. All these reactions were completed in the microwave oven within 1-3 min at 60% power (390 W) and the desired bile acids, namely trihydroxy-5 beta-cholestanoic acid, (23R)-3 alpha,7 alpha,23-trihydroxy-5 beta-cholan-24-oic acid, ursocholic acid and 7-ketolithocholic acid were isolated in 86-94% yield.
• Kanazawa et al., Nippon Kagaku Zasshi, 1955, vol. 76, p. 297,300
  作者：Kanazawa et al.

  DOI：——

  日期：——