| 1397851-59-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• CAS: 1397851-59-0
• 化学式: C₄₆H₆₃NO₆
• 分子量: 726.009
• InChiKey: ZMLUFJLFJOGTEC-BRUKEQGPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.66
• 重原子数：
  53.0
• 可旋转键数：
  23.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  89.98
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  11(R)-hydroxydocosanoic acid 在 4-二甲氨基吡啶 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 乙醚 、 甲苯 、 乙腈 为溶剂， 反应 48.0h， 生成
  参考文献：
  名称：

  Cyclic glycolipids from glandular trichome exudates of Cerastium glomeratum

  摘要：

  Fourteen cyclic glycolipids, named glomerasides A-N, have been isolated from the glandular trichome exudate of Cerastium glomeratum (Caryophyllaceae). Their structures were determined by spectroscopic analysis of the glycolipids, as well as by application of the Ohrui-Akasaka method to the fatty acid methyl esters derived from the glycolipids and GCMS studies of trimethylsilyl ether derivatives of the methyl esters. The various glomerasides have a glycosidic linkage between the anomeric hydroxy group of the glucose and the C-11, C-10 or C-9 positions of the docosanoyl moiety. They also contained an ester linkage between the C-6 hydroxy group of the glucose ring and the carboxyl group of the oxygenated fatty acid to form their macrocyclic structures. The glucose moiety was optionally acetylated and/or malony-lated at the C-2 or C-3 hydroxy groups. Among these compounds, the 1,6'-cyclic ester of 11(R)-(2-O-acetyl-beta-D-glucopyranosyloxy)docosanoic acid (glomeraside D) was the most abundant (25%). (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.phytochem.2012.07.001