peri-xanthenoxanthene-2,8-dicarboxylic acid 4,10-dihydro-3,9-dihydroxy-1,7-bis(2S-hydroxypentyl)-4,10-dioxo-di δ-lactone | 3779-11-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: peri-xanthenoxanthene-2,8-dicarboxylic acid 4,10-dihydro-3,9-dihydroxy-1,7-bis(2S-hydroxypentyl)-4,10-dioxo-di δ-lactone
• 英文别名: xylindein；Xylindein；(7S,20S)-11,24-dihydroxy-7,20-dipropyl-8,16,21,30-tetraoxaoctacyclo[15.11.1.14,28.02,15.03,12.05,10.018,23.025,29]triaconta-1,3,5(10),11,14,17(29),18(23),24,27-nonaene-9,13,22,26-tetrone
• CAS: 3779-11-1
• 化学式: C₃₂H₂₄O₁₀
• 分子量: 568.537
• InChiKey: BZFKYROURDRMSO-RYUDHWBXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  42
• 可旋转键数：
  4
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  146
• 氢给体数：
  2
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  重氮甲烷 、 peri-xanthenoxanthene-2,8-dicarboxylic acid 4,10-dihydro-3,9-dihydroxy-1,7-bis(2S-hydroxypentyl)-4,10-dioxo-di δ-lactone 以 乙醚 为溶剂， 以300 mg的产率得到peri-xanthenoxanthene-2,8-dicarboxylic acid 4,10-dihydro-3,9-dimethoxy-1,7-bis(2S-hydroxypentyl)-4,10-dioxo-di δ-lactone
  参考文献：
  名称：

  Absolute configuration and tautomeric structure of xylindein, a blue–green pigment of Chlorociboria species

  摘要：

  The S absolute configuration of both chiral centers of xylindein was assigned using X-ray crystallographic heavy atom analysis after its conversion to a synthetic derivative. Crystallographic analysis of xylindein crystallized with phenols revealed that the proposed structure is the proper tautomer in the crystals. (C) 2000 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0031-9422(00)00282-x

文献信息

• Absolute configuration and tautomeric structure of xylindein, a blue–green pigment of Chlorociboria species
  作者：Yoko Saikawa、Takashi Watanabe、Kimiko Hashimoto、Masaya Nakata

  DOI：10.1016/s0031-9422(00)00282-x

  日期：2000.10

  The S absolute configuration of both chiral centers of xylindein was assigned using X-ray crystallographic heavy atom analysis after its conversion to a synthetic derivative. Crystallographic analysis of xylindein crystallized with phenols revealed that the proposed structure is the proper tautomer in the crystals. (C) 2000 Published by Elsevier Science Ltd.