17α-methyl-5α-androstane-3β,6α,17β-triol

• 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: 17α-methyl-5α-androstane-3β,6α,17β-triol
• 英文别名: (3beta,5alpha,6alpha,17beta)-17-Methyl-androstane-3,6,17-triol; (3beta,5alpha,6alpha,17beta)-17-Methylandrostane-3,6,17-triol；(3S,5S,6S,8R,9S,10R,13S,14S,17S)-10,13,17-trimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,6,17-triol
• 化学式: C₂₀H₃₄O₃
• 分子量: 322.488
• InChiKey: HDBFDASDLMVRNX-LRCJMMRESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  23
• 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：
  60.7
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  17-甲睾酮 以1%的产率得到17beta-甲基-5alpha-雄甾烷-3alpha,17beta-二醇
  参考文献：
  名称：

  Metabolism of 17α-methyltestosterone in the rabbit: C-6 and C-16 hydroxylated metabolites

  摘要：

  17 alpha-Methyltestosterone and the reduced metabolites, 17 alpha-methyl-5 alpha-androstane-3 alpha, 17 beta-diol, 17 alpha-methyl-5 alpha-androstane-3 beta, 17 beta-diol and 17 alpha-methyl-5 beta-androstane-3 alpha, 17 beta-diol, together with three hydroxylated metabolites, 17 alpha-methyl-5 beta-androstane-3 alpha, 16 alpha, 17 beta-triol, 17 alpha-methyl-5 beta-androstane-3 alpha, 16 beta, 17 beta-triol and a new metabolite, 17 alpha-methyl-5 alpha-androstane-3 beta, 6 alpha, 17 beta-triol, were isolated and identified in the urine of rabbits dosed with 17 alpha-methyltestosterone. No hydroxylated 5 alpha-metabolite of 17 alpha-methyltestosterone has been identified previously. No of 17 alpha-methyltestosterone has been identified previously. No evidence for epimerization at the C-17 position was observed.

  DOI：

  10.1016/s0039-128x(83)90144-7