(all-E)-18,18'-dihydroxy-χ,χ-carotene | 1058725-46-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: (all-E)-18,18'-dihydroxy-χ,χ-carotene
• 英文别名: [4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[4-(hydroxymethyl)-2,3-dimethylphenyl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,3-dimethylphenyl]methanol
• CAS: 1058725-46-4
• 化学式: C₄₀H₄₈O₂
• 分子量: 560.82
• InChiKey: HMLKZIXRWIHHLE-CWBYDOOBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.5
• 重原子数：
  42
• 可旋转键数：
  12
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  χ,χ-caroten-18,18-dioic acid 在 lithium aluminium tetrahydride 作用下， 生成 (all-E)-18,18'-dihydroxy-χ,χ-carotene
  参考文献：
  名称：

  Synechoxanthin, an Aromatic C₄₀ Xanthophyll that Is a Major Carotenoid in the Cyanobacterium Synechococcus sp. PCC 7002

  摘要：

  A major aromatic, dicarboxylate carotenoid (> 15% of total) was isolated from the euryhaline cyanobacterium Synechococcus sp. PCC 7002. This compound, which was given the common name synechoxanthin (1), has been assigned the structure (all-E) chi,chi-caroten-18,18'-dioic acid by a combination of spectroscopic (UV-vis, FT-IR, H-1 and C-13 NMR, LC-MS) and chemical methods. This discovery conclusively establishes that some cyanobacteria are capable of synthesizing aromatic carotenoids.

  DOI：

  10.1021/np800310b

文献信息

• Synechoxanthin, an Aromatic C₄₀ Xanthophyll that Is a Major Carotenoid in the Cyanobacterium <i>Synechococcus</i> sp. PCC 7002
  作者：Joel E. Graham、Juliette T. J. Lecomte、Donald A. Bryant

  DOI：10.1021/np800310b

  日期：2008.9.1

  A major aromatic, dicarboxylate carotenoid (> 15% of total) was isolated from the euryhaline cyanobacterium Synechococcus sp. PCC 7002. This compound, which was given the common name synechoxanthin (1), has been assigned the structure (all-E) chi,chi-caroten-18,18'-dioic acid by a combination of spectroscopic (UV-vis, FT-IR, H-1 and C-13 NMR, LC-MS) and chemical methods. This discovery conclusively establishes that some cyanobacteria are capable of synthesizing aromatic carotenoids.