(8R,9S,13S,14S)-3-[[4-chloro-2,4,6,6-tetrakis[[(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]oxy]-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-trien-2-yl]oxy]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one | 75267-45-7

• 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: (8R,9S,13S,14S)-3-[[4-chloro-2,4,6,6-tetrakis[[(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]oxy]-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-trien-2-yl]oxy]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
• 英文别名: (8R,9S,13S,14S)-3-[[4-chloro-2,4,6,6-tetrakis[[(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]oxy]-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl]oxy]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
• CAS: 75267-45-7
• 化学式: C₉₀H₁₀₅ClN₃O₁₀P₃
• 分子量: 1517.21
• InChiKey: PIGFYVDEOMBURM-FALNDZNVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  20.8
• 重原子数：
  107
• 可旋转键数：
  10
• 环数：
  21.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  169
• 氢给体数：
  0
• 氢受体数：
  13

反应信息

• 作为产物：
  描述：

  sodium salt of estrone 在 六氯环三磷腈 作用下， 以 四氢呋喃 为溶剂， 生成 (8R,9S,13S,14S)-3-[[4-chloro-2,4,6,6-tetrakis[[(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]oxy]-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-trien-2-yl]oxy]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one 、 (8R,9S,13S,14S)-13-methyl-3-[[2,4,4,6,6-pentakis[[(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]oxy]-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-trien-2-yl]oxy]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
  参考文献：
  名称：

  Reactions of steroid salts with hexachlorocyclotriphosphazene

  摘要：

  DOI：

  10.1021/jo00314a004

文献信息

• Reactions of steroid salts with hexachlorocyclotriphosphazene
  作者：Harry R. Allcock、Timothy J. Fuller、Kiyotoshi Matsumura

  DOI：10.1021/jo00314a004

  日期：1981.1