(3a,5b,11b,20S)-3,11,17,20-四羟基-孕甾烷-21-酸 | 52077-59-5

• 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
• 中文名称: (3a,5b,11b,20S)-3,11,17,20-四羟基-孕甾烷-21-酸
• 中文别名: 苯,1-溴-2-(二氟甲氧基)-3-甲基-
• 英文名称: β-cortolic acid
• 英文别名: Cortolic acid；(2S)-2-hydroxy-2-[(3R,5R,8S,9S,10S,11S,13S,14S,17R)-3,11,17-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]acetic acid
• CAS: 52077-59-5
• 化学式: C₂₁H₃₄O₆
• 分子量: 382.497
• InChiKey: OLMLRNWYSYNMBM-RIEHMIHFSA-N

物化性质

• 沸点：
  594.0±50.0 °C(Predicted)
• 密度：
  1.313±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  27
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.95
• 拓扑面积：
  118
• 氢给体数：
  5
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1-甲基-3-对甲苯基三氮 、 (3a,5b,11b,20S)-3,11,17,20-四羟基-孕甾烷-21-酸 以 甲醇 、 乙醚 为溶剂， 反应 48.0h， 生成
  参考文献：
  名称：

  Gas chromatographic and mass spectrometric analysis of urinary acidic metabolites of cortisol

  摘要：

  A method is described suitable for the analysis of the urinary acidic metabolites of cortisol which are amongst the major metabolites of this hormone (5-25% of secretion). Following hydrolysis of the urinary glucuronide conjugates and extraction of the freed steroids, methyl ester-trimethylsilyl ethers were prepared for gas chromatographic analysis. This analysis was carried out on open tubular columns coated with Carbowax stationary phase. The polar phase column permitted the complete resolution of the four acidic metabolites: alpha-cortolonic, beta-cortolonic, alpha-cortolic and beta-cortolic acids.

  DOI：

  10.1016/0039-128x(80)90003-3

文献信息

• Gas chromatographic and mass spectrometric analysis of urinary acidic metabolites of cortisol
  作者：C.H.L. Shackleton、E. Roitman、C. Monder、H.L. Bradlow

  DOI：10.1016/0039-128x(80)90003-3

  日期：1980.9

  A method is described suitable for the analysis of the urinary acidic metabolites of cortisol which are amongst the major metabolites of this hormone (5-25% of secretion). Following hydrolysis of the urinary glucuronide conjugates and extraction of the freed steroids, methyl ester-trimethylsilyl ethers were prepared for gas chromatographic analysis. This analysis was carried out on open tubular columns coated with Carbowax stationary phase. The polar phase column permitted the complete resolution of the four acidic metabolites: alpha-cortolonic, beta-cortolonic, alpha-cortolic and beta-cortolic acids.