2α-methyl-3β,17β-dihydroxy-5α-androstane | 5197-60-4

• 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: 2α-methyl-3β,17β-dihydroxy-5α-androstane
• 英文别名: 2α-Methyl-5α-androstan-3β,17β-diol；2alpha-Methyl-5alpha-androstane-3beta,17beta-diol；(2R,3R,5S,8R,9S,10S,13S,14S,17S)-2,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
• CAS: 5197-60-4
• 化学式: C₂₀H₃₄O₂
• 分子量: 306.489
• InChiKey: GKHMLMUXODLNKN-CWXOLEPKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  22
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  屈他雄酮 在 sodium tetrahydroborate 作用下， 生成 2α-methyl-3β,17β-dihydroxy-5α-androstane
  参考文献：
  名称：

  Metabolism of 17β-hydroxy-2α-methyl-5α-androstan-3-one in the rabbit

  摘要：

  The neutral urinary excretion products of 17beta-hydroxy-2alpha-methyl-5alpha-androstan-3-one from the rabbit dosed orally were investigated. Together with oxidation-reduction of the oxygen functions at C-3 and C-17 hydroxylation occurred at C-15, C-16, and at the 2alpha-methyl positions of the steroid nucleus.

  DOI：

  10.1016/0039-128x(77)90006-x