硫酸单-(4-羟基-1-异丙基-戊基)酯 | 134887-81-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机硫酸及其衍生物
• 中文名称: 硫酸单-(4-羟基-1-异丙基-戊基)酯
• 英文名称: (6-Hydroxy-2-methylheptan-3-yl) hydrogen sulfate
• CAS: 134887-81-3
• 化学式: C₈H₁₈O₅S
• 分子量: 226.294
• InChiKey: RPESHUOYYLJEQJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  14
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  92.2
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  6-甲基-5-庚烯-2-醇 在 sodium hydroxide 、 palladium on activated charcoal 、 氢气 、 双氧水 、 三氧化硫吡啶 、 sodium hydride 、 diborane(6) 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 硫酸单-(4-羟基-1-异丙基-戊基)酯
  参考文献：
  名称：

  Musclide-A1, -A2, and -B, cardiotonic potentiating principles from musk

  摘要：

  Three new aliphatic sulfates, musclide-A1 (a mixture of 1a and 2a), -A2 (4a), and -B (6a), were isolated from musk, one of the most famous traditional Chinese medicines and their structures were determined. These compounds have a cardiotonic potentiating activity.

  DOI：

  10.1016/s0040-4039(00)74316-4

文献信息

• Musclide-A1, -A2, and -B, cardiotonic potentiating principles from musk
  作者：Shigetoshi Kadota、Tetsuya Orito、Tohru Kikuchi、Teruko Uwano、Ikuko Kimura、Masayasu Kimura

  DOI：10.1016/s0040-4039(00)74316-4

  日期：1991.4

  Three new aliphatic sulfates, musclide-A1 (a mixture of 1a and 2a), -A2 (4a), and -B (6a), were isolated from musk, one of the most famous traditional Chinese medicines and their structures were determined. These compounds have a cardiotonic potentiating activity.