2-syn-(3-methoxy-trans-propenyl)-3-anti-<3αβ-(tetrahydropyran-2-yloxy)-4-(3-chlorophenoxy)-1-trans-butenyl>-4-syn-(tetrahydropyran-2-yloxy)cyclopentan-1-ol | 67039-82-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-syn-(3-methoxy-trans-propenyl)-3-anti-<3αβ-(tetrahydropyran-2-yloxy)-4-(3-chlorophenoxy)-1-trans-butenyl>-4-syn-(tetrahydropyran-2-yloxy)cyclopentan-1-ol
• CAS: 67039-82-1
• 化学式: C₂₉H₄₁ClO₇
• 分子量: 537.093
• InChiKey: WUYPCKPIGKFZDQ-KZGKTXELSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.65
• 重原子数：
  37.0
• 可旋转键数：
  12.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.66
• 拓扑面积：
  75.61
• 氢给体数：
  1.0
• 氢受体数：
  7.0

反应信息

• 作为产物：
  描述：

  (methoxymethylene)triphenylphosphorane 、 2-oxo-6-syn-<3αβ-(tetrahydropyran-2-yloxy)-4-(3-chlorophenoxy)-1-trans-butenyl>-7-anti-(tetrahydropyran-2-yloxy)-cis-bicyclo<3.3.0>octan-3-ol 以 四氢呋喃 、 二甲基亚砜 为溶剂， 生成 2-syn-(3-methoxy-cis-propenyl)-3-anti-<3αβ-(tetrahydropyran-2-yloxy)-4-(3-chlorophenoxy)-1-trans-butenyl>-4-syn-(tetrahydropyran-2-yloxy)cyclopentan-1-ol 、 2-syn-(3-methoxy-trans-propenyl)-3-anti-<3αβ-(tetrahydropyran-2-yloxy)-4-(3-chlorophenoxy)-1-trans-butenyl>-4-syn-(tetrahydropyran-2-yloxy)cyclopentan-1-ol
  参考文献：
  名称：

  Prostaglandin analogs possessing antinidatory effects. 2. Modification of the .alpha. chain

  摘要：

  Additional double bonds were introduced into the alpha chain in 16-phenoxy-, 16-(3-chlorophenoxy)-, 16-[3-(tri-fluoromethyl)phenoxy]-, and 16-(4-chlorophenoxy)-17,18,19,20-tetranorprostaglandins which have antinidatory effects. Of these analogues, the delta 3-cis-delta 5 analogues 23b is 1200 times more potent than prostaglandin F2 alpha in antinidatory effect in the rat and more potent than any other known prostaglandin analogues.

  DOI：

  10.1021/jm00179a011