2,6-Dichloro-1-((1R,4R,5R,6S)-5,6-dihydroxy-3-hydroxymethyl-4-methoxy-cyclohex-2-enyl)-5-hydroxy-8-methyl-1H-chromeno[2,3-b]pyrrol-4-one | 139636-03-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 2,6-Dichloro-1-((1R,4R,5R,6S)-5,6-dihydroxy-3-hydroxymethyl-4-methoxy-cyclohex-2-enyl)-5-hydroxy-8-methyl-1H-chromeno[2,3-b]pyrrol-4-one
• 英文别名: Pyralomicin 1a；2,6-dichloro-1-[(1R,4R,5R,6S)-5,6-dihydroxy-3-(hydroxymethyl)-4-methoxycyclohex-2-en-1-yl]-5-hydroxy-8-methylchromeno[2,3-b]pyrrol-4-one
• CAS: 139636-03-6
• 化学式: C₂₀H₁₉Cl₂NO₇
• 分子量: 456.279
• InChiKey: JPPZZIRKTBZEAJ-JLBIYAHBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  30
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  121
• 氢给体数：
  4
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  乙酸酐 、 2,6-Dichloro-1-((1R,4R,5R,6S)-5,6-dihydroxy-3-hydroxymethyl-4-methoxy-cyclohex-2-enyl)-5-hydroxy-8-methyl-1H-chromeno[2,3-b]pyrrol-4-one 以 吡啶 为溶剂， 反应 72.0h， 以27 mg的产率得到Acetic acid (1S,2R,5R,6S)-6-acetoxy-2-(5-acetoxy-2,6-dichloro-8-methyl-4-oxo-4H-chromeno[2,3-b]pyrrol-1-yl)-4-acetoxymethyl-5-methoxy-cyclohex-3-enyl ester
  参考文献：
  名称：

  Pyralomicins, Novel Antibiotics from Microtetraspora spiralis. II. Structure Determination.

  摘要：

  Novel antibiotics, pyralomicins 1a-1d, 2a-2c were isolated from the culture broth of Microtetraspora spiralis MI178-34F18. The structures of pyralomicins were determined by various NMR spectral analyses including 1H-15N HMBC and 13C(1H) NOE difference experiments.

  DOI：

  10.7164/antibiotics.49.651

文献信息

• Pyralomicins, Novel Antibiotics from Microtetraspora spiralis. II. Structure Determination.
  作者：NAOTO KAWAMURA、RYUICHI SAWA、YOSHIKAZU TAKAHASHI、KUNIO ISSHIKI、TSUTOMU SAWA、HIROSHI NAGANAWA、TOMIO TAKEUCHI

  DOI：10.7164/antibiotics.49.651

  日期：——

  Novel antibiotics, pyralomicins 1a-1d, 2a-2c were isolated from the culture broth of Microtetraspora spiralis MI178-34F18. The structures of pyralomicins were determined by various NMR spectral analyses including 1H-15N HMBC and 13C(1H) NOE difference experiments.