炔诺酮乙酸酯3-乙基醚 | 50717-99-2

• 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: 炔诺酮乙酸酯3-乙基醚
• 英文名称: Acetic acid (8R,9S,10R,13S,14S,17R)-3-ethoxy-17-ethynyl-13-methyl-2,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl ester
• 英文别名: Norethindrone Acetate 3-Ethyl Ether；[(8R,9S,10R,13S,14S,17R)-3-ethoxy-17-ethynyl-13-methyl-2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
• CAS: 50717-99-2
• 化学式: C₂₄H₃₂O₃
• 分子量: 368.516
• InChiKey: BKNXOKQXQDHUJC-ZUYVPRDGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

上下游信息

• 下游产品

  中文名称	英文名称	CAS号	化学式	分子量
  ——	[(8R,9S,10R,13S,14S,17R)-17-ethynyl-13-methyl-3-[[(8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]-2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate	——	C40H50O3	578.835
  ——	[(8R,9S,10R,13S,14S,17R)-17-ethynyl-3-[[(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]-13-methyl-2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate	——	C40H50O4	594.835
  ——	[(8R,9S,13S,14S,17S)-17-[[(8R,9S,10R,13S,14S,17R)-17-acetyloxy-17-ethynyl-13-methyl-2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] acetate	——	C42H52O5	636.872
  ——	(8R,9S,13S,14S,17S)-17-[[(8R,9S,10R,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol	——	C38H48O3	552.797
  ——	[(8R,9S,10R,13S,14S,17R)-3-[[(8R,9S,13S,14S,17S)-3-cyclopentyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]-17-ethynyl-13-methyl-2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate	——	C45H58O4	662.953
  ——	[(8R,9S,13S,14S,17S)-17-[[(8R,9S,10R,13S,14S,17R)-17-acetyloxy-17-ethynyl-13-methyl-2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] butanoate	——	C44H56O5	664.926
  ——	[(8R,9S,10R,13S,14S,17R)-3-[[(8R,9S,13S,14S,17S)-3-(1-ethoxyethoxy)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]-17-ethynyl-13-methyl-2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate	——	C44H58O5	666.942
  ——	[(8R,9S,13S,14S,17S)-17-[[(8R,9S,10R,13S,14S,17R)-17-acetyloxy-17-ethynyl-13-methyl-2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] heptanoate	——	C47H62O5	707.006
  ——	[(8R,9S,13S,14S,17S)-17-[[(8R,9S,10R,13S,14S,17R)-17-acetyloxy-17-ethynyl-13-methyl-2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate	——	C47H54O5	698.943
  ——	[(8R,9S,13S,14S,17S)-17-[[(8R,9S,10R,13S,14S,17R)-17-acetyloxy-17-ethynyl-13-methyl-2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-13-methyl-6-oxo-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-3-yl] benzoate	——	C47H52O6	712.926

反应信息

• 作为反应物：
  描述：

  炔诺酮乙酸酯3-乙基醚 在 氢氧化钾 、 sodium tetrahydroborate 、 4-甲基苯磺酸吡啶 作用下， 以 甲醇 为溶剂， 生成
  参考文献：
  名称：

  DE2330582

  摘要：

  公开号：

文献信息

• Disteroidyl ethers. 1. Synthesis and oral long-lasting uterotrophic activity of 1,3,5(10)-estratrien-17-yl enol ethers of 3-ketosteroids
  作者：Romano Vitali、Serafino Gladiali、Giovanni Falconi、Giuseppe Celasco、Maria A. Saccani、Rinaldo Gardi

  DOI：10.1021/jm00213a010

  日期：1977.3
• DE2330581
  申请人：——

  公开号：——

  公开（公告）日：——
• DE2330582
  申请人：——

  公开号：——

  公开（公告）日：——