17-acetoxy-6α,7α-epoxy-1α-hydroxy-2,11-dioxapregn-4-ene-3,20-dione | 176736-54-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 17-acetoxy-6α,7α-epoxy-1α-hydroxy-2,11-dioxapregn-4-ene-3,20-dione
• 英文别名: [(1S,2S,4R,9S,10S,11S,14R,15R,18S)-15-acetyl-9-hydroxy-10,14-dimethyl-7-oxo-3,8,12-trioxapentacyclo[9.7.0.02,4.05,10.014,18]octadec-5-en-15-yl] acetate
• CAS: 176736-54-2
• 化学式: C₂₁H₂₆O₈
• 分子量: 406.433
• InChiKey: MZCOLFNYCRADDV-GGACXFDESA-N

物化性质

• 沸点：
  606.7±55.0 °C(predicted)
• 密度：
  1.40±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  29
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.76
• 拓扑面积：
  112
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  17-acetoxy-6α,7α-epoxy-1α-hydroxy-2,11-dioxapregn-4-ene-3,20-dione 在 吡啶 、 盐酸 、 sodium tetrahydroborate 、 potassium acetate 、 碳酸氢钠 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 21.83h， 生成 Acetic acid (8R,9S,10R,13R,14S,17R)-17-acetyl-6-chloro-10,13-dimethyl-3-oxo-3,8,9,10,12,13,14,15,16,17-decahydro-1H-2,11-dioxa-cyclopenta[a]phenanthren-17-yl ester
  参考文献：
  名称：

  Antiandrogen. III. Oxapregnane Steroids.

  摘要：

  11-Oxachlormadinone acetate (17-acetoxy-6-chloro-11-oxapregna-4, 6-diene-3, 20-dione) and 2, 11-dioxachlor-madinone acetate (17-acetoxy-6-chloro-2, 11-dioxapregna-4, 6-diene3, 20-dione) were prepared as potential antiandrogenic agnets. The effect of the latter compound on antiandrogenic activity when tested in the castrated rat was shown to be more potent than that of the parent compound, chlormadinone acetate.

  DOI：

  10.1248/cpb.44.746
• 作为产物：
  描述：

  17-acetoxy-6α,7α-epoxy-11-oxapregna-1,4-diene-3,20-dione 在 吡啶 、 臭氧 作用下， 以78.5%的产率得到17-acetoxy-6α,7α-epoxy-1α-hydroxy-2,11-dioxapregn-4-ene-3,20-dione
  参考文献：
  名称：

  Antiandrogen. III. Oxapregnane Steroids.

  摘要：

  11-Oxachlormadinone acetate (17-acetoxy-6-chloro-11-oxapregna-4, 6-diene-3, 20-dione) and 2, 11-dioxachlor-madinone acetate (17-acetoxy-6-chloro-2, 11-dioxapregna-4, 6-diene3, 20-dione) were prepared as potential antiandrogenic agnets. The effect of the latter compound on antiandrogenic activity when tested in the castrated rat was shown to be more potent than that of the parent compound, chlormadinone acetate.

  DOI：

  10.1248/cpb.44.746