24-nor-5β-cholane-3α,12α,22,23-tetrol | 50630-78-9

• 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-nor-5β-cholane-3α,12α,22,23-tetrol
• 英文别名: 24-Nor-5beta-cholane-3alpha,12alpha,22,23-tetrol；(3R,5R,8R,9S,10S,12S,13S,14S,17R)-17-[(2S)-3,4-dihydroxybutan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol
• CAS: 50630-78-9
• 化学式: C₂₃H₄₀O₄
• 分子量: 380.568
• InChiKey: MEGHYHKXGSKUIU-FFRQVMGHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  27
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  80.9
• 氢给体数：
  4
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  24-nor-5β-cholane-3α,12α,22,23-tetrol 在 sodium periodate 作用下， 生成 3α,12α-Dihydroxy-23,24-dinor-5β-cholane-22-al
  参考文献：
  名称：

  Vaidya,A.S. et al., Indian Journal of Chemistry, 1973, vol. 11, p. 645 - 648

  摘要：

  DOI：
• 作为产物：
  描述：

  deoxycholic acid 3,12-diacetate 生成 24-nor-5β-cholane-3α,12α,22,23-tetrol
  参考文献：
  名称：

  Vaidya,A.S. et al., Indian Journal of Chemistry, 1973, vol. 11, p. 645 - 648

  摘要：

  DOI：

文献信息

• Vaidya,A.S. et al., Indian Journal of Chemistry, 1973, vol. 11, p. 645 - 648
  作者：Vaidya,A.S. et al.

  DOI：——

  日期：——
• Synthesis of α,β-unsaturated C24 bile acids
  作者：Kenji Kihira、Takahiko Hoshita

  DOI：10.1016/0039-128x(85)90056-x

  日期：1985.8

  Synthesis of the alpha,beta-unsaturated analogues of cholic acid, deoxycholic acid, chenodeoxycholic acid, and ursodeoxycholic acid is described. Each common bile acid was converted to the corresponding C22 aldehyde which was then converted to the delta 22 bile acid by Wittig reaction with methyl (triphenylphosphoranylidene)acetate. The synthetic unsaturated bile acids were characterized by thin-layer chromatography, gas-liquid chromatography, and mass spectrometry.