(3alpha,5alpha,17alpha)-19-去甲孕甾烷-3,17-二醇 | 6961-15-5

• 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
• 中文名称: (3alpha,5alpha,17alpha)-19-去甲孕甾烷-3,17-二醇
• 英文名称: 19-nor-5α,17α-pregnane-3α,17β-diol
• 英文别名: 19-nor-5α,17βH-pregnane-3α,17-diol；19-Nor-5α,17βH-pregnan-3α,17-diol；17alpha-Ethyl-5alpha-estrane-3alpha,17beta-diol；(3R,5S,8R,9R,10S,13S,14S,17S)-17-ethyl-13-methyl-2,3,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
• CAS: 6961-15-5
• 化学式: C₂₀H₃₄O₂
• 分子量: 306.489
• InChiKey: GUBNWXDDDXQJOQ-GAXNORQESA-N

物化性质

• 溶解度：
  soluble in No data available

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  22
• 可旋转键数：
  1
• 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：

  17α-ethyl-17β-hydroxy-5-methyl-5α-estran-2-one 在 乙醇 、 镍 作用下， 生成 (3alpha,5alpha,17alpha)-19-去甲孕甾烷-3,17-二醇
  参考文献：
  名称：

  5alpha-estrane-3alpha, 17beta-diols and esters thereof

  摘要：

  公开号：

  US03014935A1

文献信息

• Equine Metabolites of Norethandrolone: Synthesis of a Series of 19-Nor-17α-pregnanediols and 19-Nor-17α-pregnanetriols
  作者：Andrew R. McKinney、Damon D. Ridley、Peter Turner

  DOI：10.1071/ch03018

  日期：——

  17β-triol (8) and 19-nor-5α,17α-pregnane-3β,16β,17β-triol (9) were prepared from 19-nortestosterone (11) by multistep processes in which the critical step involved Grignard additions to 16-acetoxy-17-ones. The triols (20R)-19-nor-5α,17α-pregnane-3β,17β,20-triol (22) and (20S)-19-nor-5α,17α-pregnane-3β,17β,20-triol (23) were prepared from norethindrone (24) by initial selective A-ring reduction, then subsequent

  已合成了一系列 19-nor-17α-孕二醇和 19-nor-17α-孕三醇，并用于确认合成代谢类固醇去甲睾酮的主要马尿代谢物的结构 (1)。19-Nor-5α,17α-pregnane-3α,17β-二醇 (2), 19-nor-5α,17α-pregnane-3β,17β-二醇 (4), 19-nor-5β,17α-pregnane-3α, 17β-二醇 (6) 和 19-nor-5β,17α-pregnane-3β,17β-二醇 (7) 通过立体选择性还原炔诺酮的 3-ene-4-one 制备。19-nor-5α,17α-pregnane-3β,16α,17β-triol (8) 和 19-nor-5α,17α-pregnane-3β,16β,17β-triol (9) 从 19-nortestosterone (11 ) 通过多步过程，其中关键步骤涉及格氏加成到 16-acetoxy-17-ones。三醇