3,7-dihydroxy-2-methoxy-8,8,10-trimethyl-7,8-dihydro-6H-anthracene-1,4,5-trione

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: 3,7-dihydroxy-2-methoxy-8,8,10-trimethyl-7,8-dihydro-6H-anthracene-1,4,5-trione
• 英文别名: 3,7-Dihydroxy-2-methoxy-8,8,10-trimethyl-6,7-dihydroanthracene-1,4,5-trione；3,7-dihydroxy-2-methoxy-8,8,10-trimethyl-6,7-dihydroanthracene-1,4,5-trione
• 化学式: C₁₈H₁₈O₆
• 分子量: 330.337
• InChiKey: BRNCENKARBVJTP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  24
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  101
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3,7-dihydroxy-2-methoxy-8,8,10-trimethyl-7,8-dihydro-6H-anthracene-1,4,5-trione 、 乙酸酐 在 吡啶 作用下， 反应 36.0h， 生成
  参考文献：
  名称：

  Unusual naphthoquinones, catechin and triterpene from Byrsonima microphylla

  摘要：

  The new triterpene Delta(1)-lupenone (1), together with lupeol, beta-amyrin and betulin were isolated from the wood of Byrsoninia microphylla (Malpighiaceae). The new compounds 3-hydroxy-2-methoxy-8,8,10-trimethyl-8H-antracen-1,4,5-trione (2), 3,7-dihydroxy-2-meth oxy-8,8, 10-trimethyl-7,8-dihydro-6H-antracen-1,4,5-trione (3), (2S*,10aR*)-2,8-dihydroxy-6-methoxy-1,1,7-trimethyl-2,3,10, 10a-tetrahydro-1H-fenantren-9-one (4) and (2S,3S)-3'-hydroxy-4',5,7-trimethoxy-flavan-3-ol (5) were also isolated through monitored TLC using the antioxidant P-carotene reagent. The antioxidant potential of the compounds 2-5 was measured and none of them showed activity. The structures of these compounds were elucidated by chemical and spectroscopic analysis based on NMR techniques (H-1, C-13 NMR, COSY, nOe difference, HMQC and HMBC), UV and MS. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.phytochem.2005.07.011