4-O-[15α-acetoxy-17β-hydroxyestra-1,3,5(10)-trien-3-yl]butanoic acid | 247112-69-2

• 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: 4-O-[15α-acetoxy-17β-hydroxyestra-1,3,5(10)-trien-3-yl]butanoic acid
• CAS: 247112-69-2
• 化学式: C₂₄H₃₂O₆
• 分子量: 416.514
• InChiKey: KRRCLQRSBLFEFS-QFWAIHHFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.69
• 重原子数：
  30.0
• 可旋转键数：
  6.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  93.06
• 氢给体数：
  2.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  4-O-[15α-acetoxy-17β-hydroxyestra-1,3,5(10)-trien-3-yl]butanoic acid 在 chromium(VI) oxide 、 盐酸 、 硫酸 作用下， 以 丙酮 为溶剂， 反应 20.25h， 生成 4-O-[15α-hydroxy-17-oxoestra-1,3,5(10)-trien-3-yl]butanoic acid
  参考文献：
  名称：

  Preparation of specific antisera to 15α-hydroxyestrogens

  摘要：

  The synthesis of haptens of 15 alpha-hydroxyestrone, 15 alpha-hydroxyestradiol, and 15 alpha-hydroxyestriol (estetrol) was undertaken, to obtain specific antisera required for enzyme immunoassay. 3-(1-Carboxypropyl) ethers of these 15 alpha-hydroxyestrogens were prepared and conjugated with bovine serum albumin and horseradish peroxidase. The specificity of antisera elicited against bovine serum albumin conjugates was checked by the enzyme immunoassay by using horseradish peroxidase-labeled antigen, and proved to be satisfactory in terms of cross-reactivities to related compounds. (C) 1999 Elsevier Science Inc. All rights reserved.

  DOI：

  10.1016/s0039-128x(99)00031-8
• 作为产物：
  描述：

  17β-tert-butyldimethylsilyloxyestra-1,3,5(10)-trien-3,15α-diol 在 吡啶 、 盐酸 、 sodium hydroxide 、 potassium carbonate 作用下， 以 甲醇 、 二甲基亚砜 、 丙酮 为溶剂， 反应 21.5h， 生成 4-O-[15α-acetoxy-17β-hydroxyestra-1,3,5(10)-trien-3-yl]butanoic acid
  参考文献：
  名称：

  Preparation of specific antisera to 15α-hydroxyestrogens

  摘要：

  The synthesis of haptens of 15 alpha-hydroxyestrone, 15 alpha-hydroxyestradiol, and 15 alpha-hydroxyestriol (estetrol) was undertaken, to obtain specific antisera required for enzyme immunoassay. 3-(1-Carboxypropyl) ethers of these 15 alpha-hydroxyestrogens were prepared and conjugated with bovine serum albumin and horseradish peroxidase. The specificity of antisera elicited against bovine serum albumin conjugates was checked by the enzyme immunoassay by using horseradish peroxidase-labeled antigen, and proved to be satisfactory in terms of cross-reactivities to related compounds. (C) 1999 Elsevier Science Inc. All rights reserved.

  DOI：

  10.1016/s0039-128x(99)00031-8