2α,3α,6α-trihydroxy-5α-androstan-17-one | 132011-90-6

• 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,3α,6α-trihydroxy-5α-androstan-17-one
• 英文别名: (2R,3S,5S,6S,8R,9S,10R,13S,14S)-2,3,6-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
• CAS: 132011-90-6
• 化学式: C₁₉H₃₀O₄
• 分子量: 322.445
• InChiKey: TWEIDZOLJWTSGW-ISRJYSLFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  23
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.95
• 拓扑面积：
  77.8
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2α,3α-Dihydroxy-5α-cholestan-6-one 以 甲醇 为溶剂， 反应 72.0h， 以40%的产率得到2α,3α,6α-trihydroxy-5α-androstan-17-one
  参考文献：
  名称：

  Microbial degradation of 2α, 3α-dihydroxy-5α-cholestan-6-one by Mycobacterium vaccae

  摘要：

  2-alpha,3-alpha-Dihydroxy-5-alpha-cholestan-6-one (3), which had the substitution pattern of brassinosteroids in the A/B-ring moiety, was transformed by Mycobacterium vaccae to give 2-alpha,3-alpha,6-alpha-trihydroxy-5-alpha-androstan-17-one (4) and 2-alpha-hydroxyandrost-4-ene-3,17-dione (5). The structures of these compounds were determined by spectroscopic methods, especially H-1 nuclear magnetic resonance studies.

  DOI：

  10.1016/0039-128x(91)90021-m