teraspiridole A | 1449417-03-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 萘并呋喃类
• 英文名称: teraspiridole A
• 英文别名: Teraspiridole A；[(2S,2'S,3aS,3'aS,3bR,4S,5aR,10aR,10bR,12aS)-2',3b,6,6,10a,12a-hexamethyl-1',8-dioxospiro[3,3a,4,5,5a,10b,11,12-octahydro-[1]benzofuro[5,4-g][2]benzoxepine-2,4'-3,3a-dihydro-2H-imidazo[1,2-a]indole]-4-yl] acetate
• CAS: 1449417-03-1
• 化学式: C₃₃H₄₂N₂O₆
• 分子量: 562.706
• InChiKey: VMDRKPOWEASMAD-CPUMHDPCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  41
• 可旋转键数：
  2
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  94.2
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  teraspiridole A 在 盐酸 作用下， 以 水 为溶剂， 反应 12.0h， 生成 L-丙氨酸
  参考文献：
  名称：

  Spiro Fused Diterpene–Indole Alkaloids from a Creek-Bottom-Derived Aspergillus terreus

  摘要：

  Four metabolites, teraspiridoles A-D (2-5), formed from the merger of a diterpene and modified indole scaffold were obtained from an Aspergillus terreus isolate. The structures and absolute configurations of these natural products were established using NMR, mass spectrometry, Marfey's method, VCD, and ECD data. Teraspiridole B (3) exhibited weak inhibition of planaria regeneration/survival.

  DOI：

  10.1021/ol401891z

文献信息

• Spiro Fused Diterpene–Indole Alkaloids from a Creek-Bottom-Derived <i>Aspergillus terreus</i>
  作者：Shengxin Cai、Lin Du、Alexandra L. Gerea、Jarrod B. King、Jianlan You、Robert H. Cichewicz

  DOI：10.1021/ol401891z

  日期：2013.8.16

  Four metabolites, teraspiridoles A-D (2-5), formed from the merger of a diterpene and modified indole scaffold were obtained from an Aspergillus terreus isolate. The structures and absolute configurations of these natural products were established using NMR, mass spectrometry, Marfey's method, VCD, and ECD data. Teraspiridole B (3) exhibited weak inhibition of planaria regeneration/survival.