(1S,2R,3S)-(+)-1,2,3-triacetoxy-2,3-dihydro-4-(4'-methoxyphenyl)phenalene | 374778-68-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: (1S,2R,3S)-(+)-1,2,3-triacetoxy-2,3-dihydro-4-(4'-methoxyphenyl)phenalene
• 英文别名: [(1S,2R,3S)-1,3-diacetyloxy-4-(4-methoxyphenyl)-2,3-dihydro-1H-phenalen-2-yl] acetate
• CAS: 374778-68-4
• 化学式: C₂₆H₂₄O₇
• 分子量: 448.472
• InChiKey: SNJNNMCRFHGSTH-KKUQBAQOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  33
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  88.1
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  (1S,2R,3S)-(+)-1,2,3-triacetoxy-2,3-dihydro-4-(4'-methoxyphenyl)phenalene 在 臭氧 、 双氧水 作用下， 以 溶剂黄146 为溶剂， 反应 24.0h， 生成 (2R,4R)-2,3,4-Triacetoxy-pentanedioic acid
  参考文献：
  名称：

  New phenylphenalenones from banana fruit

  摘要：

  Six new phenylphenalenone derivatives were isolated from unripe banana, Musa acuminata, fruit that had been wounded followed by inoculation with Colletotrichum musae. Absolute configurations of optically active phenylphenalenone derivatives were elucidated by their chemical conversion to L-arabitol pentaacetate. Antifungal activities against C. musae and a biosynthetic pathway of phenylphenalenones are also discussed. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(01)00749-9
• 作为产物：
  描述：

  (1S,2R,3S)-(-)-2,3-dihydro-1,2,3-trihydroxy-4-(4'-hydroxyphenyl)phenalene 以 吡啶 、 甲醇 、 乙醚 为溶剂， 反应 50.0h， 生成 (1S,2R,3S)-(+)-1,2,3-triacetoxy-2,3-dihydro-4-(4'-methoxyphenyl)phenalene
  参考文献：
  名称：

  New phenylphenalenones from banana fruit

  摘要：

  Six new phenylphenalenone derivatives were isolated from unripe banana, Musa acuminata, fruit that had been wounded followed by inoculation with Colletotrichum musae. Absolute configurations of optically active phenylphenalenone derivatives were elucidated by their chemical conversion to L-arabitol pentaacetate. Antifungal activities against C. musae and a biosynthetic pathway of phenylphenalenones are also discussed. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(01)00749-9