3-methoxy-16-hydroxymethylene-17-oxo-17a-oxa-D-homo-estra-1,3,5(10)-triene | 95237-24-4

• 分子结构分类: 有机化合物
• 英文名称: 3-methoxy-16-hydroxymethylene-17-oxo-17a-oxa-D-homo-estra-1,3,5(10)-triene
• CAS: 95237-24-4
• 化学式: C₂₀H₂₄O₄
• 分子量: 328.408
• InChiKey: TXMNAVSKFIJBRG-XSYGEPLQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  24.0
• 可旋转键数：
  1.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  55.76
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  3-methoxy-16-hydroxymethylene-17-oxo-17a-oxa-D-homo-estra-1,3,5(10)-triene 在 platinum(IV) oxide 氢气 、 sodium acetate 作用下， 以 溶剂黄146 、 苯 为溶剂， 反应 2.0h， 生成 3-methoxy-17a-oxa-D-homo-estra-1,3,5(10)-trien-17-one
  参考文献：
  名称：

  Synthesis and cytotoxic activity of estrogen α-methylene-δ-lactones

  摘要：

  Several estrogen derivatives containing the alpha-methylene-delta-lactone group as part of the D-ring were prepared as anti-tumor agents. The compounds were highly toxic towards HeLa S3 cells grown in culture.

  DOI：

  10.1016/0039-128x(84)90046-1
• 作为产物：
  描述：

  3-methoxy-17a-oxa-D-homo-estra-1,3,5(10)-trien-17-one 、 甲酸乙酯 在 potassium hydride 作用下， 以 1,4-二氧六环 为溶剂， 以97%的产率得到3-methoxy-16-hydroxymethylene-17-oxo-17a-oxa-D-homo-estra-1,3,5(10)-triene
  参考文献：
  名称：

  Synthesis and cytotoxic activity of estrogen α-methylene-δ-lactones

  摘要：

  Several estrogen derivatives containing the alpha-methylene-delta-lactone group as part of the D-ring were prepared as anti-tumor agents. The compounds were highly toxic towards HeLa S3 cells grown in culture.

  DOI：

  10.1016/0039-128x(84)90046-1