3-Oxo-4,6-estradiene-17S-spiro-5'-(2'-oxo-3'-methyl)oxazolidine | 69269-52-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 3-Oxo-4,6-estradiene-17S-spiro-5'-(2'-oxo-3'-methyl)oxazolidine
• CAS: 69269-52-9
• 化学式: C₂₁H₂₇NO₃
• 分子量: 341.45
• InChiKey: CIDSXLMNNDVTIQ-XUJOMZSTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.73
• 重原子数：
  25.0
• 可旋转键数：
  0.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  46.61
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  (8R,9S,10R,13S,14S,17S)-3',13-dimethylspiro[1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,5'-1,3-oxazolidine]-2',3-dione 在 硫酸 、 四氯苯醌 、 原甲酸三乙酯 作用下， 生成 3-Oxo-4,6-estradiene-17S-spiro-5'-(2'-oxo-3'-methyl)oxazolidine
  参考文献：
  名称：

  Synthesis of new spiro-steroids, II: Steroid-17-spiro-oxazolidinones*1

  摘要：

  New, potential aldosterone blocking 17-spiro-oxazolidinone derivatives with androstane, estrane and 13 beta-ethyl-gonane ring system were synthesized. 17S-Spiro-oxiranes were used as starting compounds and the oxazolidinone ring was built up in different ways. All compounds but one were devoid of considerable endocrine activities. 3-Oxo-13 beta-ethyl-gona-4,9(10),11-triene-17S-spiro-5'-(2'-oxo-3'-methyl)oxazolidine shows significant antiandrogen activity on s.c., but none on p.o. administration.

  DOI：

  10.1016/0039-128x(80)90138-5