(1S,4R,5S)-4-((R)-3-Hydroxy-butyl)-5-hydroxymethyl-3,3-dimethyl-cyclohexanol | 128533-22-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (1S,4R,5S)-4-((R)-3-Hydroxy-butyl)-5-hydroxymethyl-3,3-dimethyl-cyclohexanol
• 英文别名: (1S,4R,5S)-4-[(3R)-3-hydroxybutyl]-5-(hydroxymethyl)-3,3-dimethylcyclohexan-1-ol
• CAS: 128533-22-2
• 化学式: C₁₃H₂₆O₃
• 分子量: 230.348
• InChiKey: BRIWCCDGXBFWHX-WISYIIOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  60.7
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (1S,4R,5S)-4-((R)-3-Hydroxy-butyl)-5-hydroxymethyl-3,3-dimethyl-cyclohexanol 在 Molsin (protease type XIII from Aspergillus saitoi) 作用下， 以 乙醇 为溶剂， 反应 96.0h， 以84%的产率得到Nigakialcohol
  参考文献：
  名称：

  The structures of two new ionone glucosides from Melia toosendan and a novel type of selective bio-oxidation.

  摘要：

  The structures of two new ionone glucosides, melia-ionosides A and B, isolated from leaves of Melia toosendan were determined based on the combined evidence of chemical, spectral, and X-ray studies. In addition, a novel type of selective bio-oxidation was found during the chemical study.

  DOI：

  10.1248/cpb.38.830
• 作为产物：
  描述：

  Melia-ioniside A 在 硫酸 作用下， 以 甲醇 为溶剂， 生成 (1S,4R,5S)-4-((R)-3-Hydroxy-butyl)-5-hydroxymethyl-3,3-dimethyl-cyclohexanol
  参考文献：
  名称：

  The structures of two new ionone glucosides from Melia toosendan and a novel type of selective bio-oxidation.

  摘要：

  The structures of two new ionone glucosides, melia-ionosides A and B, isolated from leaves of Melia toosendan were determined based on the combined evidence of chemical, spectral, and X-ray studies. In addition, a novel type of selective bio-oxidation was found during the chemical study.

  DOI：

  10.1248/cpb.38.830

文献信息

• NAKANISHI, TSUTOMU;KONISHI, MARI;MURATA, NIROKO;INADA, AKIRA;FUJII, ATSUS+, CHEM. AND PHARM. BULL., 38,(1990) N, C. 830-832
  作者：NAKANISHI, TSUTOMU、KONISHI, MARI、MURATA, NIROKO、INADA, AKIRA、FUJII, ATSUS+

  DOI：——

  日期：——