15-oxa-17α-ethynyl-3-methoxy-1,3,5(10)-estratrien-17β-ol | 49849-03-8

• 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: 15-oxa-17α-ethynyl-3-methoxy-1,3,5(10)-estratrien-17β-ol
• 英文别名: (1R,3aS,3bR,9bS,11aS)-1-ethynyl-7-methoxy-11a-methyl-2,3a,3b,4,5,9b,10,11-octahydronaphtho[1,2-g][1]benzofuran-1-ol
• CAS: 49849-03-8
• 化学式: C₂₀H₂₄O₃
• 分子量: 312.409
• InChiKey: JXSFWBDECFNFEC-SLHNCBLASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  38.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3-羟基-15-氧杂雌甾-1,3,5(10)-三烯-17-酮 在 乙炔锂乙二胺配合物 作用下， 以 1,4-二氧六环 、 乙醚 为溶剂， 反应 75.5h， 生成 15-oxa-17α-ethynyl-3-methoxy-1,3,5(10)-estratrien-17β-ol
  参考文献：
  名称：

  Synthesis and biological activity of some 15-oxaestranes

  摘要：

  The estrogenic activity of orally administered 15-oxaestrone was evaluated by the uterotropic assay in rats and was found to be 12 times greater than that of estrone. In addition, several analogues of 15-oxaestrone were prepared and their estrogenic potency was determined.

  DOI：

  10.1021/jm00177a026

文献信息

• US3987066A
  申请人：——

  公开号：US3987066A

  公开（公告）日：1976-10-19
• Synthesis and biological activity of some 15-oxaestranes
  作者：Perry Rosen、Alfred Boris、Gloria Oliva

  DOI：10.1021/jm00177a026

  日期：1980.3

  The estrogenic activity of orally administered 15-oxaestrone was evaluated by the uterotropic assay in rats and was found to be 12 times greater than that of estrone. In addition, several analogues of 15-oxaestrone were prepared and their estrogenic potency was determined.