(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3-hydroxy-17-((R)-5-hydroxypentan-2-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-7,12-diyl diacetate | 1101182-33-5

• 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: (3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3-hydroxy-17-((R)-5-hydroxypentan-2-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-7,12-diyl diacetate
• CAS: 1101182-33-5
• 化学式: C₂₈H₄₆O₆
• 分子量: 478.67
• InChiKey: UWVUKTPOZBXSPL-RDKZJRBFSA-N

物化性质

• 沸点：
  562.0±50.0 °C(predicted)
• 密度：
  1.14±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  34.0
• 可旋转键数：
  6.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  93.06
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  methyl (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-diacetyloxy-10,13-dimethyl-3-[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-triacetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]oxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 以25%的产率得到
  参考文献：
  名称：

  Dimeric Cholaphanes with Oxamide Spacers

  摘要：

  Two new dimeric cholaphanes with oxamide spacers were prepared. The spacers bind two identical steroidal subunits through positions 3,3' and 24,24' (head-to-head dimer) or positions 3,24' and 3',24 (head-to-tail dimer).

  DOI：

  10.1007/s00706-007-0768-1