5,6-二甲氧基杂色曲霉毒素 | 65176-75-2

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 杂色曲霉素
• 中文名称: 5,6-二甲氧基杂色曲霉毒素
• 英文名称: 5,6-Dimethoxysterigmatocycstin
• 英文别名: 5,6-Dimethoxysterigmatocystin；15-hydroxy-11,17,18-trimethoxy-6,8,20-trioxapentacyclo[10.8.0.02,9.03,7.014,19]icosa-1,4,9,11,14(19),15,17-heptaen-13-one
• CAS: 65176-75-2
• 化学式: C₂₀H₁₆O₈
• 分子量: 384.342
• InChiKey: RSPJLZQIZABVSE-UHFFFAOYSA-N

物化性质

• 沸点：
  469.5°C (rough estimate)
• 密度：
  1.3601 (rough estimate)
• 物理描述：
  Solid
• 熔点：
  253-254°C

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  28
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  92.7
• 氢给体数：
  1
• 氢受体数：
  8

安全信息

• 海关编码：
  2932999099

反应信息

• 作为反应物：
  描述：

  5,6-二甲氧基杂色曲霉毒素 在 palladium on activated charcoal 氢气 、 potassium iodide 作用下， 以 溶剂黄146 、 乙酸乙酯 为溶剂， 反应 7.0h， 生成 6,8-Dihydroxy-10,11-dimethoxy-1,2,3a,12c-tetrahydro-furo[3',2':4,5]furo[2,3-c]xanthen-7-one
  参考文献：
  名称：

  5,6-Dimethoxysterigmatocystin and related metabolites from Aspergillus multicolor.

  摘要：

  From the mycelial mats of Aspergillus multicolor Sappa, five metabolites were isolated. Two of them were new metabolites; one was 5, 6-dimethoxysterigmatocystin (1) and the other 5, 6-dimethoxydihydrosterigmatocystin (4). The structure of 1 was determined by chemical degradation, NMR techniques of benzene-induced solvent shifts and X-ray structure analysis of its acetate (2). The three metabolites were identified as sterigmatocystin, averufin and versicolorin C, respectively.

  DOI：

  10.1271/bbb1961.44.1149

文献信息

• 5,6-Dimethoxysterigmatocystin and related metabolites from Aspergillus multicolor.
  作者：Takashi HAMASAKI、Takeo NAKAGOMI、Yuichi HATSUDA、Keiichi FUKUYAMA、Yukiteru KATSUBE

  DOI：10.1271/bbb1961.44.1149

  日期：——

  From the mycelial mats of Aspergillus multicolor Sappa, five metabolites were isolated. Two of them were new metabolites; one was 5, 6-dimethoxysterigmatocystin (1) and the other 5, 6-dimethoxydihydrosterigmatocystin (4). The structure of 1 was determined by chemical degradation, NMR techniques of benzene-induced solvent shifts and X-ray structure analysis of its acetate (2). The three metabolites were identified as sterigmatocystin, averufin and versicolorin C, respectively.