11β-Methoxy-19-nor-17α-pregna-1,3,5(10)trien-20-yn-2,3,17β-triol | 72226-93-8

• 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: 11β-Methoxy-19-nor-17α-pregna-1,3,5(10)trien-20-yn-2,3,17β-triol
• 英文别名: (8S,9S,11S,13S,14S,17R)-17-ethynyl-11-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-2,3,17-triol
• CAS: 72226-93-8
• 化学式: C₂₁H₂₆O₄
• 分子量: 342.435
• InChiKey: XXEKFEBZBPGIAP-OCIQKRMFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  25
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  69.9
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  重氮甲烷 、 11β-Methoxy-19-nor-17α-pregna-1,3,5(10)trien-20-yn-2,3,17β-triol 以 甲醇 、 氯仿 为溶剂， 生成
  参考文献：
  名称：

  Reference compounds for the study op moxestrol metabolism

  摘要：

  Reference compounds for the subsequent identification of the metabolites of the potent estrogen, moxestrol (R 2858) , in various species were isolated from the bile of phenobarbital pretreated rats or obtained via enzymatic hydroxylation by microorganisms. A few of them were prepared by chemical synthesis. The structures of all these compounds were determined by physical and chemical methods.

  DOI：

  10.1016/0039-128x(79)90101-6
• 作为产物：
  描述：

  甲氧炔雌醇 生成 11β-Methoxy-19-nor-17α-pregna-1,3,5(10)trien-20-yn-2,3,17β-triol
  参考文献：
  名称：

  Reference compounds for the study op moxestrol metabolism

  摘要：

  Reference compounds for the subsequent identification of the metabolites of the potent estrogen, moxestrol (R 2858) , in various species were isolated from the bile of phenobarbital pretreated rats or obtained via enzymatic hydroxylation by microorganisms. A few of them were prepared by chemical synthesis. The structures of all these compounds were determined by physical and chemical methods.

  DOI：

  10.1016/0039-128x(79)90101-6