17β-hydroxy-7α-carboxymethyl-5-androsten-3-one-3-ethyleneketal | 62800-15-1

• 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: 17β-hydroxy-7α-carboxymethyl-5-androsten-3-one-3-ethyleneketal
• CAS: 62800-15-1
• 化学式: C₂₃H₃₄O₅
• 分子量: 390.52
• InChiKey: JOZXUWLFTYBIDN-IIYMBUSYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.75
• 重原子数：
  28.0
• 可旋转键数：
  2.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.87
• 拓扑面积：
  75.99
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  17β-hydroxy-7α-carboxymethyl-5-androsten-3-one-3-ethyleneketal 在 硫酸 作用下， 以 丙酮 为溶剂， 反应 1.33h， 生成 17β-hydroxy-7α-carboxymethyl-4-androsten-3-one
  参考文献：
  名称：

  Preparation of dehydroepiandrosterone, testosterone and progesterone antigens through 7-carboxymethyl derivatives: Characteristics of the antisera to testosterone and progesterone

  摘要：

  Dehydroepiandrosterone, testosterone and progesterone 7-carboxymethyl derivatives were prepared: 7 alpha and 7 beta epimers were separated and coupled to bovine serum albumin. Preliminary studies of the antisera induced by these antigens showed that they have high affinity and good specificity.

  DOI：

  10.1016/0039-128x(80)90037-9
• 作为产物：
  描述：

  17β-acetoxy-7ξ-bromo-5-androsten-3-one-3-ethyleneketal 在 吡啶 、 氢氧化钾 、 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 生成 17β-hydroxy-7α-carboxymethyl-5-androsten-3-one-3-ethyleneketal
  参考文献：
  名称：

  Preparation of dehydroepiandrosterone, testosterone and progesterone antigens through 7-carboxymethyl derivatives: Characteristics of the antisera to testosterone and progesterone

  摘要：

  Dehydroepiandrosterone, testosterone and progesterone 7-carboxymethyl derivatives were prepared: 7 alpha and 7 beta epimers were separated and coupled to bovine serum albumin. Preliminary studies of the antisera induced by these antigens showed that they have high affinity and good specificity.

  DOI：

  10.1016/0039-128x(80)90037-9