(22S,24E)-3-oxo-15α-hydroxy-22β-acetoxylanosta-7,9(11),24-trien-26-oic acid | 729589-82-6

• 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: (22S,24E)-3-oxo-15α-hydroxy-22β-acetoxylanosta-7,9(11),24-trien-26-oic acid
• 英文别名: (E,5S,6S)-5-acetyloxy-6-[(5R,10S,13R,14R,15S,17R)-15-hydroxy-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid
• CAS: 729589-82-6
• 化学式: C₃₂H₄₆O₆
• 分子量: 526.714
• InChiKey: QBSWEZFISYOHGN-FWYDRAPJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  38
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.72
• 拓扑面积：
  101
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  ganorbiformin A 以 氘代氯仿 为溶剂， 生成 (22S,24E)-3-oxo-15α-hydroxy-22β-acetoxylanosta-7,9(11),24-trien-26-oic acid
  参考文献：
  名称：

  Lanostane triterpenes from cultures of the Basidiomycete Ganoderma orbiforme BCC 22324

  摘要：

  Seven lanostane triterpenoids, ganorbiformins A-G, together with twelve known compounds, were isolated from cultures of the mushroom fungus Ganoderma orbiforme BCC 22324. Ganorbiformin A is an unusual rearranged analog, whereas the other compounds share the same lanostane skeleton with known ganoderic acids. The C-3 epimer of ganoderic acid T also exhibited significant antimycobacterial activity against Mycobacterium tuberculosis H37Ra (MIC 1.3 mu M). (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.phytochem.2012.11.022