heptakis(2,6-di-O-methyl)-mono(2,3,6-tri-O-methyl)cyclomalto-octaose | 129901-24-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: heptakis(2,6-di-O-methyl)-mono(2,3,6-tri-O-methyl)cyclomalto-octaose
• 英文别名: (1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21R,23R,25R,26S,28R,30R,31S,33R,35R,36S,38R,40R,41S,42R,43S,44R,45S,46R,47S,48R,49S,50R,51S,52R,53S,54R,55S,56R)-42,44,46,48,49,50,52,54,56-nonamethoxy-5,10,15,20,25,30,35,40-octakis(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36]hexapentacontane-41,43,45,47,51,53,55-heptol
• CAS: 129901-24-2
• 化学式: C₆₅H₁₁₄O₄₀
• 分子量: 1535.6
• InChiKey: FGMNMTOYRPIXGG-MMAJXLQYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -6.29
• 重原子数：
  105.0
• 可旋转键数：
  25.0
• 环数：
  30.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  446.2
• 氢给体数：
  7.0
• 氢受体数：
  40.0

反应信息

• 作为产物：
  描述：

  γ-环糊精 、 硫酸二甲酯 生成 heptakis(2,6-di-O-methyl)-mono(2,3,6-tri-O-methyl)cyclomalto-octaose
  参考文献：
  名称：

  TANIMOTO, TOSHIKO;KUBOTA, YOKO;NAKANISHI, NORIKO;KOIZUMI, KYOKO, CHEM. AND PHARM. BULL., 38,(1990) N, C. 318-322

  摘要：

  DOI：

文献信息

• Isolation and characterization of hexakis(2,6-di-O-methyl)cyclomaltohexaose and octakis(2,6-di-O-methyl)cyclomalto-octaose, and their over-methylated homologues.
  作者：Toshiko TANIMOTO(nee UTAMURA)、Yoko KUBOTA、Noriko NAKANISHI、Kyoko KOIZUMI

  DOI：10.1248/cpb.38.318

  日期：——

  The methylation of cyclomaltohexaose (α-CD) and cyclomalto-octaose (γ-CD) gave two major components in each case. These methylated compounds were isolated by high-performance liquid chromatography and characterized by carbon-13 unclear magnetic resonance spectroscopy, fast-atom bombardment mass spectrometry, and fragmentation analysis. The two major products from α-CD were hexakis(2, 6-di-O-methyl)cyclomaltohexaose and pentakis(2, 6-di-O-methyl)-mono(2, 3, 6-tri-O-methyl)cyclomaltohexaose and those from γ-CD were octakis(2, 6-di-O methyl)cyclomalto-octaose and heptakis(2, 6-di-O-methyl)-mono(2, 3, 6-tri-O-methyl)cyclomalto-octaose.

  环状麦芽六糖（α-CD）和环状麦芽八糖（γ-CD）的甲基化分别产生了两种主要成分。这些甲基化化合物通过高效液相色谱法分离，并通过碳-13不清晰磁共振波谱、快速原子轰击质谱和碎片分析进行表征。α-CD产生的两种主要产物是六（2,6-二-O-甲基）环状麦芽六糖和五（2,6-二-O-甲基）-单（2,3,6-三-O-甲基）环状麦芽六糖，γ-CD产生的两种主要产物是八（2,6-二-O-甲基）环状麦芽八糖和七（2,6-二-O-甲基）-单（2,3,6-三-O-甲基）环状麦芽八糖。