gillusdin | 94663-91-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 英文名称: gillusdin
• 英文别名: methyl 5,7-dichloro-4',6-dihydroxy-5'-methoxy-4-methyl-3,3'-dioxospiro[1-benzofuran-2,6'-cyclohexa-1,4-diene]-1'-carboxylate
• CAS: 94663-91-9
• 化学式: C₁₇H₁₂Cl₂O₈
• 分子量: 415.183
• InChiKey: GKDPVOBYIGAJSD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  27
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  119
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  重氮甲烷 、 gillusdin 生成
  参考文献：
  名称：

  从曲霉曲霉菌丝体中分离出的新代谢物的化学结构。金黄色的。

  摘要：

  From the mycelium of Aspergillus terreus var. aureus, a new metabolite, gillusdin (1), was isolated. 1 was found to be 5, 7-dichloro-5, 6-dihydroxy-6-methoxy-4-methyl-3, 4-dioxospiro [benzofuran 2 (3H), 1-[2, 5] cyclohexadiene]-2-carboxylic acid methyl ester based on a 13C-NMR longrange selective proton decoupling (LSPD) experiment and other spectral data. Unlike the metabolites so far isolated from Aspergillus terreus, 1 is a new substance which seems to be biosynthesized via deoxyerythrolaccin as an intermediate.

  DOI：

  10.1248/cpb.32.4213

文献信息

• Chemical structure of a new metabolite isolated from the mycelium of Aspergillus terreus var. aureus.
  作者：Kyosuke Nomoto、Kousei Mizukawa、Yoshiaki Kato、Mayuri Kubo、Teruo Kamiki、Yoshihiko Inamori

  DOI：10.1248/cpb.32.4213

  日期：——

  From the mycelium of Aspergillus terreus var. aureus, a new metabolite, gillusdin (1), was isolated. 1 was found to be 5, 7-dichloro-5, 6-dihydroxy-6-methoxy-4-methyl-3, 4-dioxospiro [benzofuran 2 (3H), 1-[2, 5] cyclohexadiene]-2-carboxylic acid methyl ester based on a 13C-NMR longrange selective proton decoupling (LSPD) experiment and other spectral data. Unlike the metabolites so far isolated from Aspergillus terreus, 1 is a new substance which seems to be biosynthesized via deoxyerythrolaccin as an intermediate.