1,6β,11α-Trihydroxy-11β-methyl-4-oxo-10αH-ambrosa-2-ene-12-oic acid-γ-lactone | 139122-98-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 内酯类
• 英文名称: 1,6β,11α-Trihydroxy-11β-methyl-4-oxo-10αH-ambrosa-2-ene-12-oic acid-γ-lactone
• 英文别名: (3S,3aR,6S,6aS,9aS,9bR)-3,6a-dihydroxy-3,6,9a-trimethyl-4,5,6,9b-tetrahydro-3aH-azuleno[8,7-b]furan-2,9-dione
• CAS: 139122-98-8
• 化学式: C₁₅H₂₀O₅
• 分子量: 280.321
• InChiKey: VZCPMFDQFUTDFS-JSKDHCJISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  20
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  83.8
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1,6β,11α-Trihydroxy-11β-methyl-4-oxo-10αH-ambrosa-2-ene-12-oic acid-γ-lactone 在 三氟化硼乙醚 作用下， 生成 (9aR,9bR)-3,6,9a-Trimethyl-4,5,9a,9b-tetrahydro-azuleno[4,5-b]furan-2,9-dione
  参考文献：
  名称：

  The microbiological transformation of parthenin byBeauveria bassiana andSporotrichum pulverulentum

  摘要：

  Incubation of parthenin (1,6-beta-dihydroxy-4-oxo-10-alpha-H-ambrosa-2,11(13)-dien-12-oic acid-gamma-lactone) with the fungus Beauveria bassiana affords the C-11 reduction product, 1,6-beta-dihydroxy-11-beta-methyl-4-oxo-10-alpha-H-ambrosa-2-ene-12-oic acid-gamma-lactone. A C-11 hydroxylation product, 1,6-beta,11-alpha-trihydroxy-11-beta-methyl-4-oxo-10-alpha-H-ambrosa-2-ene-12-oic acid-gamma-lactone was obtained from the broth of the fungus Sporotrichum pulverulentum using the same substrate.

  DOI：

  10.1016/0031-9422(91)80073-a
• 作为产物：
  描述：

  银胶菊宁 以 various solvent(s) 为溶剂， 反应 96.0h， 以32%的产率得到1,6β,11α-Trihydroxy-11β-methyl-4-oxo-10αH-ambrosa-2-ene-12-oic acid-γ-lactone
  参考文献：
  名称：

  The microbiological transformation of parthenin byBeauveria bassiana andSporotrichum pulverulentum

  摘要：

  Incubation of parthenin (1,6-beta-dihydroxy-4-oxo-10-alpha-H-ambrosa-2,11(13)-dien-12-oic acid-gamma-lactone) with the fungus Beauveria bassiana affords the C-11 reduction product, 1,6-beta-dihydroxy-11-beta-methyl-4-oxo-10-alpha-H-ambrosa-2-ene-12-oic acid-gamma-lactone. A C-11 hydroxylation product, 1,6-beta,11-alpha-trihydroxy-11-beta-methyl-4-oxo-10-alpha-H-ambrosa-2-ene-12-oic acid-gamma-lactone was obtained from the broth of the fungus Sporotrichum pulverulentum using the same substrate.

  DOI：

  10.1016/0031-9422(91)80073-a