3β,11α-dihydroxyandrost-5-ene-7,17-dione | 1314953-63-3

• 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: 3β,11α-dihydroxyandrost-5-ene-7,17-dione
• CAS: 1314953-63-3
• 化学式: C₁₉H₂₆O₄
• 分子量: 318.413
• InChiKey: IBEKCESMXVLVGN-WIUDQVAQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.03
• 重原子数：
  23.0
• 可旋转键数：
  0.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.79
• 拓扑面积：
  74.6
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  去氢表雄酮 在 Gelasinospora retispora GRK₀₀₂ 作用下， 以 甲醇 、 水 为溶剂， 反应 336.0h， 以35%的产率得到7-羟基去氢表雄酮
  参考文献：
  名称：

  Hydroxylation of steroid compounds by Gelasinospora retispora

  摘要：

  Biotransformation of androst-4-ene-3,17-dione (1), 3 beta-hydroxypregnan-5-en-20-one (pregnenolone, 2), 3 beta-hydroxyandrost-5-en-17-one (DHEA, 3) and estradiol (4) was investigated with fungus of Gelasinospora retispora. Biotransformation of 1 gave 11 alpha-hydroxyandrost-4-ene-3,17-dione (5) in good yield. In the case of compound 2, three compounds, DHEA (3), 3 beta,17 beta-dihydroxyandrost-5-ene (6) and 3 beta,15 beta-dihydroxyandrost-5-en-17-one (7) were obtained. Moreover, DHEA(3) was converted to 3 beta,7 alpha-dihydroxyandrost-5-en-17-one (8) and 3 beta,11 alpha-dihydroxyandrost-5-ene-7,17-dione (9). And it was found that biotransformation of 4 affords 6 beta-hydroxyestradiol (10). (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molcatb.2010.07.008