(Z)-16¹-hydroxyimino-14,16β-ethano-3-methoxy-14β-estra-1,3,5(10)-trien-17-one | 1110665-15-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: (Z)-16¹-hydroxyimino-14,16β-ethano-3-methoxy-14β-estra-1,3,5(10)-trien-17-one
• 英文别名: (1S,2R,11S,14S,16R,17Z)-17-hydroxyimino-7-methoxy-14-methylpentacyclo[14.2.1.01,14.02,11.05,10]nonadeca-5(10),6,8-trien-15-one
• CAS: 1110665-15-0
• 化学式: C₂₁H₂₅NO₃
• 分子量: 339.434
• InChiKey: XDVWPMGZTVUJOQ-VBXIJAIFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  25
• 可旋转键数：
  1
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  58.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3-methoxy-16α-nitro-14,17-ethanoestra-1,3,5(10)-trien-17β-yl acetate 在 碳酸氢钠 作用下， 以 乙醇 为溶剂， 反应 4.0h， 以0.012 g的产率得到(E)-16¹-hydroxyimino-14,16β-ethano-3-methoxy-14β-estra-1,3,5(10)-trien-17-one
  参考文献：
  名称：

  Synthesis and molecular structure of 14,15-pyrrolidino-and 14,16-ethano derivatives of estrone

  摘要：

  Hydrolysis of 3-methoxy-16 alpha-nitro-14,17-ethenoestra-1,3,5(10)-trien-17 beta-yl acetate under weakly basic conditions leads to formation of 3-methoxy-2'-oxopyrrolidino-[4',5':14 beta,15 beta]-estra-1,3,5 (10)-trien-17-one, the structure of which has been confirmed by X-ray analysis and some chemical transformations. The reactivity of 3-methoxy-16 alpha-nitro-14,17-ethanoestra-1,3,5(10)-trien-17 beta-yl acetate under various conditions of basic hydrolysis has been investigated. The derived compounds have been identified by means of NMR spectroscopy and X-ray analysis. (C) 2008 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.steroids.2008.01.004