3-Methoxy-1,3,5(10),9-estratetraene-17S-spiro-oxirane | 59975-00-7

• 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: 3-Methoxy-1,3,5(10),9-estratetraene-17S-spiro-oxirane
• CAS: 59975-00-7
• 化学式: C₂₀H₂₄O₂
• 分子量: 296.409
• InChiKey: RWBZVNZHIXYHMD-FUMNGEBKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.23
• 重原子数：
  22.0
• 可旋转键数：
  1.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  21.76
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  3-Methoxy-1,3,5(10),9-estratetraene-17S-spiro-oxirane 在 对甲苯磺酸 作用下， 生成 ((8S,13S,14S,17S)-17-Hydroxy-3-methoxy-13-methyl-7,8,12,13,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-ylmethyl)-methyl-carbamic acid ethyl ester
  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