| 1222181-18-1

• 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
• CAS: 1222181-18-1
• 化学式: C₂₂H₂₂O₉
• 分子量: 430.411
• InChiKey: IIJCLQUVMJNQKP-VUCKONGNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.17
• 重原子数：
  31.0
• 可旋转键数：
  5.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  120.75
• 氢给体数：
  2.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  、 (R)-(+)-α-甲氧基-α-(三氟甲基)苯乙酸 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 二氯甲烷 为溶剂， 以91%的产率得到
  参考文献：
  名称：

  New anti-malarial phenylpropanoid conjugated iridoids from Morinda morindoides

  摘要：

  A new phenylpropanoid conjugated iridoid together with four known congeners was isolated from Morinda morindoides, used for the therapy of malaria traditionally in some African countries, as anti-malarial principles through bioassay-guided separation. Furthermore, their absolute stereostructures were unambiguously established by a combination of modified Mosher's method and chemical correlation. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.01.095
• 作为产物：
  描述：

  在 naringinase 作用下， 以79%的产率得到
  参考文献：
  名称：

  New anti-malarial phenylpropanoid conjugated iridoids from Morinda morindoides

  摘要：

  A new phenylpropanoid conjugated iridoid together with four known congeners was isolated from Morinda morindoides, used for the therapy of malaria traditionally in some African countries, as anti-malarial principles through bioassay-guided separation. Furthermore, their absolute stereostructures were unambiguously established by a combination of modified Mosher's method and chemical correlation. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.01.095