[(2R,3R,4aS)-2-[4-(dimethylamino)benzoyl]oxy-7-hydroxy-9-methoxy-4a-methyl-6-oxo-3,4-dihydro-2H-benzo[c]chromen-3-yl] 4-(dimethylamino)benzoate | 947253-22-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [(2R,3R,4aS)-2-[4-(dimethylamino)benzoyl]oxy-7-hydroxy-9-methoxy-4a-methyl-6-oxo-3,4-dihydro-2H-benzo[c]chromen-3-yl] 4-(dimethylamino)benzoate
• CAS: 947253-22-7
• 化学式: C₃₃H₃₄N₂O₈
• 分子量: 586.642
• InChiKey: OJFIDLOLNPYPGW-HRBORTPRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  43
• 可旋转键数：
  9
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  115
• 氢给体数：
  1
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  (2R,3R,4aS)-2,3,7-trihydroxy-9-methoxy-4a-methyl-2,3,4,4a-tetrahydrobenzo[c]chromen-6-one 、 4-二甲氨基苯甲酰氯 在 4-二甲氨基吡啶 作用下， 以 二氯甲烷 为溶剂， 反应 24.0h， 以0.7 mg的产率得到[(2R,3R,4aS)-2-[4-(dimethylamino)benzoyl]oxy-7-hydroxy-9-methoxy-4a-methyl-6-oxo-3,4-dihydro-2H-benzo[c]chromen-3-yl] 4-(dimethylamino)benzoate
  参考文献：
  名称：

  Altenuene Derivatives from an Unidentified Freshwater Fungus in the Family Tubeufiaceae

  摘要：

  Four new altenuene derivatives called dihydroaltenuenes A (1) and B (2) and dehydroaltenuenes A (3) and B (4), along with five known compounds, including isoaltenuene (5), altenuene (6), and 5'-epialtenuene (7), were isolated from cultures of an unidentified freshwater aquatic fungal species in the family Tubeufiaceae. The structures of 1-4 were determined by analysis of NMR and MS data. The relative stereochemistry was determined on the basis of H-1 NMR J-values and NOE data, while the absolute configuration of a representative member of the group (5) was assigned by CD spectral analysis of its bis-N, N-dimethylaminobenzoate derivative. Compounds 1, 3, 4, 5, and 6 showed antibiotic activity against Gram-positive bacteria.

  DOI：

  10.1021/np0504661

文献信息

• Altenuene Derivatives from an Unidentified Freshwater Fungus in the Family Tubeufiaceae
  作者：Ping Jiao、James B. Gloer、Jinx Campbell、Carol A. Shearer

  DOI：10.1021/np0504661

  日期：2006.4.1

  Four new altenuene derivatives called dihydroaltenuenes A (1) and B (2) and dehydroaltenuenes A (3) and B (4), along with five known compounds, including isoaltenuene (5), altenuene (6), and 5'-epialtenuene (7), were isolated from cultures of an unidentified freshwater aquatic fungal species in the family Tubeufiaceae. The structures of 1-4 were determined by analysis of NMR and MS data. The relative stereochemistry was determined on the basis of H-1 NMR J-values and NOE data, while the absolute configuration of a representative member of the group (5) was assigned by CD spectral analysis of its bis-N, N-dimethylaminobenzoate derivative. Compounds 1, 3, 4, 5, and 6 showed antibiotic activity against Gram-positive bacteria.