鸡屎藤苷酸甲酯 | 122413-01-8

• 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
• 中文名称: 鸡屎藤苷酸甲酯
• 英文名称: paederosidic acid methyl ester
• 英文别名: methyl paederosidate；methyl (1S,4aS,5S,7aS)-5-hydroxy-7-(methylsulfanylcarbonyloxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
• CAS: 122413-01-8
• 化学式: C₁₉H₂₆O₁₂S
• 分子量: 478.474
• InChiKey: JNDNZIPLLDTLQK-DILZHRMZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.9
• 重原子数：
  32
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  207
• 氢给体数：
  5
• 氢受体数：
  13

反应信息

• 作为反应物：
  描述：

  乙酸酐 、 鸡屎藤苷酸甲酯 在 吡啶 作用下， 以39.1 g的产率得到(1S,4aS,5S,7aS)-5-Acetoxy-7-methylsulfanylcarbonyloxymethyl-1-((2S,3R,4S,5R,6R)-3,4,5-triacetoxy-6-acetoxymethyl-tetrahydro-pyran-2-yloxy)-1,4a,5,7a-tetrahydro-cyclopenta[c]pyran-4-carboxylic acid methyl ester
  参考文献：
  名称：

  Iridoid glucosides from roots of Vietnamese Paederia scandens

  摘要：

  Four iridoid glucosides, three of which are dimeric were isolated from the methanol extract of roots of Vietnamese Paederia scandens (Lour) Merrill together with the five known glucosides, paederoside, asperuloside, paederosidic acid, asperulosidic acid and geniposide. Seven sulfur-containing iridoid glucosides were also isolated. The structures of the iridoid glucosides were determined by a combination of high-resolution NMR, MS, IR and UV spectra, and chemical reaction such as acetylation. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0031-9422(02)00096-1
• 作为产物：
  描述：

  甲醇 、 鸡矢藤苷 以 水 为溶剂， 反应 100.0h， 生成 鸡屎藤苷酸甲酯
  参考文献：
  名称：

  Iridoid glucosides from roots of Vietnamese Paederia scandens

  摘要：

  Four iridoid glucosides, three of which are dimeric were isolated from the methanol extract of roots of Vietnamese Paederia scandens (Lour) Merrill together with the five known glucosides, paederoside, asperuloside, paederosidic acid, asperulosidic acid and geniposide. Seven sulfur-containing iridoid glucosides were also isolated. The structures of the iridoid glucosides were determined by a combination of high-resolution NMR, MS, IR and UV spectra, and chemical reaction such as acetylation. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0031-9422(02)00096-1

文献信息

• Iridoid glucosides from roots of Vietnamese Paederia scandens
  作者：D Quang

  DOI：10.1016/s0031-9422(02)00096-1

  日期：2002.7

  Four iridoid glucosides, three of which are dimeric were isolated from the methanol extract of roots of Vietnamese Paederia scandens (Lour) Merrill together with the five known glucosides, paederoside, asperuloside, paederosidic acid, asperulosidic acid and geniposide. Seven sulfur-containing iridoid glucosides were also isolated. The structures of the iridoid glucosides were determined by a combination of high-resolution NMR, MS, IR and UV spectra, and chemical reaction such as acetylation. (C) 2002 Elsevier Science Ltd. All rights reserved.