macrosphelide B

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酯类和类似物
• 英文名称: macrosphelide B
• 英文别名: (7E,13E)-9-hydroxy-4,10,16-trimethyl-1,5,11-trioxacyclohexadeca-7,13-diene-2,6,12,15-tetrone
• 化学式: C₁₆H₂₀O₈
• 分子量: 340.33
• InChiKey: BUJQDSFTDISLDT-YDFGWWAZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  24
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  116
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  乙酸酐 、 macrosphelide B 在 吡啶 作用下， 反应 24.0h， 以77%的产率得到Acetic acid (7E,13E)-4,10,16-trimethyl-2,6,12,15-tetraoxo-1,5,11-trioxa-cyclohexadeca-7,13-dien-9-yl ester
  参考文献：
  名称：

  Macrosphelide, a Novel Inhibitor of Cell-cell Adhesion Molecule. II. Physicochemical Properties and Structural Elucidation.

  摘要：

  New anticell-adherence compounds, macrosphelides A and B, were isolated from the fermentation broth of Microsphaeropsis sp. FO-5050, and their structures were elucidated by spectroscopic methods and by chemical transformations. Macrosphelides A (M.W. 342, C16H22O8) and B (M.W. 340, C16H20O8) with three esters in their molecules were classified as 16-membered macrocyclic compounds. Macrosphelide B was found to be a corresponding oxidative product of macrosphelide A at the C-14 position.

  DOI：

  10.7164/antibiotics.49.95

文献信息

• Macrosphelide, a Novel Inhibitor of Cell-cell Adhesion Molecule. II. Physicochemical Properties and Structural Elucidation.
  作者：SATOSHI TAKAMATSU、YONG-PIL KIM、MASAHIKO HAYASHI、HIDEMI HIRAOKA、MASAHIKO NATORI、KANKI KOMIYAMA、SATOSHI OMURA

  DOI：10.7164/antibiotics.49.95

  日期：——

  New anticell-adherence compounds, macrosphelides A and B, were isolated from the fermentation broth of Microsphaeropsis sp. FO-5050, and their structures were elucidated by spectroscopic methods and by chemical transformations. Macrosphelides A (M.W. 342, C16H22O8) and B (M.W. 340, C16H20O8) with three esters in their molecules were classified as 16-membered macrocyclic compounds. Macrosphelide B was found to be a corresponding oxidative product of macrosphelide A at the C-14 position.