(11α,13α)-12a-methylene-11,18-cyclo-C-homoestr-5-ene-3,17-dione cyclicbis(1,2-ethanediyl acetal) | 201473-72-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (11α,13α)-12a-methylene-11,18-cyclo-C-homoestr-5-ene-3,17-dione cyclicbis(1,2-ethanediyl acetal)
• CAS: 201473-72-5
• 化学式: C₂₄H₃₂O₄
• 分子量: 384.516
• InChiKey: MVSLCIWSPNNJBY-PMSFMSJRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.21
• 重原子数：
  28.0
• 可旋转键数：
  0.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  36.92
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  (11α,13α)-12a-methylene-11,18-cyclo-C-homoestr-5-ene-3,17-dione cyclicbis(1,2-ethanediyl acetal) 在 palladium catalyst 氢气 作用下， 生成 (11α,12aβ,13α,17α)-17-hydroxy-12a-methyl-11,18-cyclo-C-homo-19-norpregn-4-en-20-yn-3-one
  参考文献：
  名称：

  Synthesis of conformationally restricted progestational 13-ethylsteroids

  摘要：

  As 3-Ketodesogestrel and Gestodene differ in the conformation of the 13-ethyl group, a series of progestagens was devised in which this conformation is fixed. Thus, both epimers of a steroid with a methyl-substituted 11,13-ethano bridge were prepared and their biological activities compared. From the receptor binding activity, it was concluded that the "Desogestrel conformation" is the more active one. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)10112-3
• 作为产物：
  描述：

  (1'R,3a'S,6a'S,6b'R,12a'R,12b'S)-1',2',5',6',6a',6b',7',9',11',12',12a',12b'-dodecahydro-3'H-dispiro[[1,3]dioxolane-2,4'-[1,3a]methanonaphtho[2,1-e]azulene-10',2''-[1,3]dioxolan]-3'-one 、 alkaline earth salt of/the/ methylsulfuric acid 在 potassium tert-butylate 作用下， 以 甲苯 为溶剂， 生成 (11α,13α)-12a-methylene-11,18-cyclo-C-homoestr-5-ene-3,17-dione cyclicbis(1,2-ethanediyl acetal)
  参考文献：
  名称：

  Synthesis of conformationally restricted progestational 13-ethylsteroids

  摘要：

  As 3-Ketodesogestrel and Gestodene differ in the conformation of the 13-ethyl group, a series of progestagens was devised in which this conformation is fixed. Thus, both epimers of a steroid with a methyl-substituted 11,13-ethano bridge were prepared and their biological activities compared. From the receptor binding activity, it was concluded that the "Desogestrel conformation" is the more active one. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)10112-3