(2S,3R,4S,5R)-2-(((3S,7R,9S,9aR)-5-methoxy-3,6,9-trimethyl-7-(2-methylprop-1-en-1-yl)-2,3,7,8,9,9a-hexahydro-1H-phenalen-4-yl)oxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate | 1046417-38-2

• 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
• 英文名称: (2S,3R,4S,5R)-2-(((3S,7R,9S,9aR)-5-methoxy-3,6,9-trimethyl-7-(2-methylprop-1-en-1-yl)-2,3,7,8,9,9a-hexahydro-1H-phenalen-4-yl)oxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate
• CAS: 1046417-38-2
• 化学式: C₃₂H₄₄O₉
• 分子量: 572.696
• InChiKey: HJSWRUWVPAYPHI-LCRMOKJZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  41.0
• 可旋转键数：
  7.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.66
• 拓扑面积：
  106.59
• 氢给体数：
  0.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  (2S,3R,4S,5R)-2-(((3S,7R,9S,9aR)-5-methoxy-3,6,9-trimethyl-7-(2-methylprop-1-en-1-yl)-2,3,7,8,9,9a-hexahydro-1H-phenalen-4-yl)oxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate 在 potassium carbonate 作用下， 以 甲醇 为溶剂， 以95%的产率得到Methopterosin
  参考文献：
  名称：

  iso-PsE, a new pseudopterosin

  摘要：

  We describe the discovery of a new member of the pseudopterosin class of marine natural products. Its structure is isomeric with that of pseudopterosin E and has therefore been given the name iso-PsE. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.05.106
• 作为产物：
  描述：

  2,3,4-tri-O-acetyl-β-D-xylopyranosyl trichloroacetimidate 、 (4R,6S,6aR,9S)-2-Methoxy-3,6,9-trimethyl-4-(2-methyl-propenyl)-5,6,6a,7,8,9-hexahydro-4H-phenalen-1-ol 在 4 A molecular sieve 、 三氟化硼乙醚 作用下， 以 二氯甲烷 为溶剂， 以91%的产率得到(2S,3R,4S,5R)-2-(((3S,7R,9S,9aR)-5-methoxy-3,6,9-trimethyl-7-(2-methylprop-1-en-1-yl)-2,3,7,8,9,9a-hexahydro-1H-phenalen-4-yl)oxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate
  参考文献：
  名称：

  iso-PsE, a new pseudopterosin

  摘要：

  We describe the discovery of a new member of the pseudopterosin class of marine natural products. Its structure is isomeric with that of pseudopterosin E and has therefore been given the name iso-PsE. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.05.106