methyl (1S,10S,15R,18S,19R,20S)-10,18-dihydroxy-11,12,14,15,16,17,18,19,20,21-decahydro-1H-yohimban-19-carboxylate | 2288-52-0

• 分子结构分类: 有机化合物 - 生物碱及其衍生物
• 英文名称: methyl (1S,10S,15R,18S,19R,20S)-10,18-dihydroxy-11,12,14,15,16,17,18,19,20,21-decahydro-1H-yohimban-19-carboxylate
• CAS: 2288-52-0
• 化学式: C₂₁H₂₆N₂O₄
• 分子量: 370.448
• InChiKey: IRBQFPSOAOKULK-RENMCCNSSA-N

物化性质

• 沸点：
  558.3±50.0 °C(Predicted)
• 密度：
  1.50±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  27
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  82.4
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  methyl (1S,10S,15R,18S,19R,20S)-10,18-dihydroxy-11,12,14,15,16,17,18,19,20,21-decahydro-1H-yohimban-19-carboxylate 在 sodium hydroxide 作用下， 以 甲醇 为溶剂， 生成 yohimbine pseudoindoxyl A
  参考文献：
  名称：

  Synthesis of 1-Hydroxyyohimbine and Its Novel Skeletal Rearrangement Reaction into Oxindole Derivatives

  摘要：

  1-Hydroxyyohimbine was prepared for the first time. Its skeletal rearrangement reaction either directly into 2-oxindole or into 3-oxindole derivatives by a series of reaction is reported. 1-Hydroxyyohimbine and some of its derivatives showed potent alpha2 blocking activity.

  DOI：

  10.3987/com-01-9226
• 作为产物：
  描述：

  盐酸育亨宾 在 氢氧化钾 、 sodium tungstate 、 双氧水 、 sodium acetate 、 sodium cyanoborohydride 作用下， 以 甲醇 、 三氟乙酸 为溶剂， 反应 3.0h， 生成 methyl (1S,10S,15R,18S,19R,20S)-10,18-dihydroxy-11,12,14,15,16,17,18,19,20,21-decahydro-1H-yohimban-19-carboxylate
  参考文献：
  名称：

  Synthesis of 1-Hydroxyyohimbine and Its Novel Skeletal Rearrangement Reaction into Oxindole Derivatives

  摘要：

  1-Hydroxyyohimbine was prepared for the first time. Its skeletal rearrangement reaction either directly into 2-oxindole or into 3-oxindole derivatives by a series of reaction is reported. 1-Hydroxyyohimbine and some of its derivatives showed potent alpha2 blocking activity.

  DOI：

  10.3987/com-01-9226