(4aR,4bS,6aR,7R,9aS,9bS)-4a,6a-dimethyl-7-((R)-6-methylheptan-2-yl)tetradecahydrocyclopenta[7,8]phenanthro[1,10a-b]oxiren-2(1aH)-one oxime | 1204291-91-7

• 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: (4aR,4bS,6aR,7R,9aS,9bS)-4a,6a-dimethyl-7-((R)-6-methylheptan-2-yl)tetradecahydrocyclopenta[7,8]phenanthro[1,10a-b]oxiren-2(1aH)-one oxime
• CAS: 1204291-91-7
• 化学式: C₂₇H₄₅NO₂
• 分子量: 415.66
• InChiKey: CMWYCUIRMUIFBQ-KBZWNMJMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.07
• 重原子数：
  30.0
• 可旋转键数：
  5.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.96
• 拓扑面积：
  45.12
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  (4aR,4bS,6aR,7R,9aS,9bS)-4a,6a-dimethyl-7-((R)-6-methylheptan-2-yl)tetradecahydrocyclopenta[7,8]phenanthro[1,10a-b]oxiren-2(1aH)-one oxime 在 2-碘酰苯甲酸 、 N-甲基吗啉氧化物 作用下， 以 二甲基亚砜 为溶剂， 反应 24.0h， 以91%的产率得到(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-nitro-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-5-ol
  参考文献：
  名称：

  A mild oxidative method for the preparation of γ-hydroxy-α-nitroolefins from α,β-epoxyketoximes using IBX

  摘要：

  An efficient method for the preparation of gamma-hydroxy-alpha-nitroolefins from alpha,beta-epoxyketoximes has been developed using IBX. The reaction occurs at room temperature Without the formation of over-oxidation products and also has an easy work-up procedure. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.10.090
• 作为产物：
  描述：

  4-胆甾烯-3-酮 在 双氧水 、 羟胺 作用下， 生成 (4aR,4bS,6aR,7R,9aS,9bS)-4a,6a-dimethyl-7-((R)-6-methylheptan-2-yl)tetradecahydrocyclopenta[7,8]phenanthro[1,10a-b]oxiren-2(1aH)-one oxime
  参考文献：
  名称：

  A mild oxidative method for the preparation of γ-hydroxy-α-nitroolefins from α,β-epoxyketoximes using IBX

  摘要：

  An efficient method for the preparation of gamma-hydroxy-alpha-nitroolefins from alpha,beta-epoxyketoximes has been developed using IBX. The reaction occurs at room temperature Without the formation of over-oxidation products and also has an easy work-up procedure. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.10.090