methyl (8S,9S,10R,13R,14S,17R)-10,13-dimethyl-1,2-dioxo-17-[(2R)-pentan-2-yl]-3,4,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-5-carboxylate

• 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 (8S,9S,10R,13R,14S,17R)-10,13-dimethyl-1,2-dioxo-17-[(2R)-pentan-2-yl]-3,4,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-5-carboxylate
• 化学式: C₂₆H₄₀O₄
• 分子量: 416.6
• InChiKey: MPVUZIKGKSSPOR-DTQKQYJISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  30
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  60.4
• 氢给体数：
  0
• 氢受体数：
  4

文献信息

• PROCESS FOR THE SELECTIVE REDUCTION OF BILE ACIDS, THEIR SALTS OR DERIVATIVES, IN A BIPHASIC SYSTEM
  申请人：PRODOTTI CHIMICI E ALIMENTARI SPA

  公开号：EP2855693A2

  公开（公告）日：2015-04-08
• [EN] PROCESS FOR THE SELECTIVE REDUCTION OF BILE ACIDS, THEIR SALTS OR DERIVATIVES, IN A BIPHASIC SYSTEM<br/>[FR] PROCÉDÉ DE RÉDUCTION SÉLECTIVE DES ACIDES BILIAIRES, DE LEURS SELS OU DÉRIVÉS, DANS UN SYSTÈME BIPHASIQUE
  申请人：PRODOTTI CHIMICI ALIMENTARI

  公开号：WO2013179210A2

  公开（公告）日：2013-12-05

  New process for the stereo- and regioselective enzymatic reduction of bile acids, their salts or derivatives, such as 7-keto-lithocholic acid, 7- ketodesoxycholic acid methyl ester, or 7,12 diketolithocholic acid methyl ester, in a buffer/organic solvent biphasic system by the action of NAD (P) H-dependent 7β-hydroxysteroid dehydrogenase (7β- HSDH) in the presence of a glucose dehydrogenase (GDH) and glucose as co- substrate for the regeneration of the NAD ( P) H cofactor.