(8S,9S,10R,13S,14S,17R)-17-(7,11-dimethyl-4-oxododec-10-enoyl)-17-hydroxy-10,13-dimethyl-7,8,9,10,12,13,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,11(2H,6H)-dione | 1337568-95-2

• 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
• 英文名称: (8S,9S,10R,13S,14S,17R)-17-(7,11-dimethyl-4-oxododec-10-enoyl)-17-hydroxy-10,13-dimethyl-7,8,9,10,12,13,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,11(2H,6H)-dione
• CAS: 1337568-95-2
• 化学式: C₃₃H₄₈O₅
• 分子量: 524.741
• InChiKey: VNNRHQQRVZJDQY-HKDXKFHXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.51
• 重原子数：
  38.0
• 可旋转键数：
  10.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.76
• 拓扑面积：
  88.51
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  Δ4-17α-hydroxy-3,11,20-triketopregnene 21-chloride 在 过氧化双月桂酰 作用下， 以 乙酸乙酯 、 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 生成 (8S,9S,10R,13S,14S,17R)-17-(7,11-dimethyl-4-oxododec-10-enoyl)-17-hydroxy-10,13-dimethyl-7,8,9,10,12,13,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,11(2H,6H)-dione
  参考文献：
  名称：

  Modular Approach to Saturated and α,β-Unsaturated Ketones

  摘要：

  2-Fluoro-6-pyridinyloxy derivatives of 2-ethoxyvinyl carbinois react with radicals derived from xanthates by an addition fragmentation pathway to give highly functionalized ketones after acid hydrolysis. 1,4-Diketones are readily accessible by this approach. alpha,beta-Unsaturated ketones can be obtained by starting with geminal acetoxy xanthates prepared by addition of a simpler xanthate to vinyl acetate.

  DOI：

  10.1021/ol202399c