3α,17β-diacetoxy-5,10-bis[(methoxythiocarbonyl)oxy]-7α-methyl-5,10-secoandrostane | 925429-71-6

• 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: 3α,17β-diacetoxy-5,10-bis[(methoxythiocarbonyl)oxy]-7α-methyl-5,10-secoandrostane
• CAS: 925429-71-6
• 化学式: C₂₇H₄₂O₈S₂
• 分子量: 558.758
• InChiKey: JMJHJSABXSSONA-GROBCXHSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.14
• 重原子数：
  37.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  89.52
• 氢给体数：
  0.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  3α,17β-diacetoxy-5,10-bis[(methoxythiocarbonyl)oxy]-7α-methyl-5,10-secoandrostane 以 甲醇 、 甲苯 为溶剂， 反应 1.5h， 生成 [(1R,2R,3R,5S,7S,8R,9R,10R,11S,14S,15S)-5-acetyloxy-9,15-dimethyl-14-pentacyclo[8.7.0.02,8.03,7.011,15]heptadecanyl] acetate
  参考文献：
  名称：

  A new type of steroids with a cyclobutane fragment in the AB-ring moiety

  摘要：

  The synthesis of a 5,10-seco steroid containing two double bonds in a AB-macrocycle as well as the preparation of a steroidal skeleton with a cyclobutane fragment is described. The structures of these compounds are different from those of natural steroids, but they are very similar with respect to conformation of the carbon skeleton. (c) 2006 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.steroids.2006.01.010
• 作为产物：
  描述：

  在 吡啶 、 氢氧化钾 、 sodium tetrahydroborate 、 calcium chloride 作用下， 以 乙醇 为溶剂， 反应 120.58h， 生成 3α,17β-diacetoxy-5,10-bis[(methoxythiocarbonyl)oxy]-7α-methyl-5,10-secoandrostane
  参考文献：
  名称：

  A new type of steroids with a cyclobutane fragment in the AB-ring moiety

  摘要：

  The synthesis of a 5,10-seco steroid containing two double bonds in a AB-macrocycle as well as the preparation of a steroidal skeleton with a cyclobutane fragment is described. The structures of these compounds are different from those of natural steroids, but they are very similar with respect to conformation of the carbon skeleton. (c) 2006 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.steroids.2006.01.010