(6S,7R,8S)-6,8-Dimethyl-decane-1,7-diol | 401788-82-7

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: (6S,7R,8S)-6,8-Dimethyl-decane-1,7-diol
• 英文别名: (6S,7R,8S)-6,8-dimethyldecane-1,7-diol
• CAS: 401788-82-7
• 化学式: C₁₂H₂₆O₂
• 分子量: 202.337
• InChiKey: ZEURGOXVIKZAGF-SDDRHHMPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  14
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  在 palladium on activated charcoal sodium hydroxide 、 氢气 作用下， 以 甲醇 为溶剂， 生成 (6S,7R,8S)-6,8-Dimethyl-decane-1,7-diol
  参考文献：
  名称：

  Toward the Creation of NMR Databases in Chiral Solvents:  Bidentate Chiral NMR Solvents for Assignment of the Absolute Configuration of Acyclic Secondary Alcohols

  摘要：

  The absolute configuration of acyclic secondary alcohols can be established from analysis of the chemical shift behaviors of the adjacent carbons in bidentate chiral solvents (R,R)- and (S,S)-1d as formulated in the boxed illustration.

  DOI：

  10.1021/ol0171160

文献信息

• Toward the Creation of NMR Databases in Chiral Solvents:  Bidentate Chiral NMR Solvents for Assignment of the Absolute Configuration of Acyclic Secondary Alcohols
  作者：Yoshihisa Kobayashi、Nobuyuki Hayashi、Yoshito Kishi

  DOI：10.1021/ol0171160

  日期：2002.2.1

  The absolute configuration of acyclic secondary alcohols can be established from analysis of the chemical shift behaviors of the adjacent carbons in bidentate chiral solvents (R,R)- and (S,S)-1d as formulated in the boxed illustration.