hypocrellol A | 1343402-84-5

• 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: hypocrellol A
• 英文别名: (3S,5R,10S,13R,14R,17R)-17-[(3R,6R)-6-(2-hydroxypropan-2-yl)oxan-3-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-ol
• CAS: 1343402-84-5
• 化学式: C₃₀H₄₈O₃
• 分子量: 456.709
• InChiKey: KDYOPGCGQCXINZ-ASSAYMTPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  33
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.87
• 拓扑面积：
  49.7
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  hypocrellol A 、 甲氧基-三氟甲基苯 在 吡啶 作用下， 反应 18.0h， 以2 mg的产率得到[(3S,5R,10S,13R,14R,17R)-17-[(3R,6R)-6-(2-hydroxypropan-2-yl)oxan-3-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-yl] (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
  参考文献：
  名称：

  Lanostane and Hopane Triterpenes from the Entomopathogenic Fungus Hypocrella sp. BCC 14524

  摘要：

  Seven new lanostane-type triterpenes, hypocrellols A-G (1-7), and six new hopane-type triterpenes, 7 beta,15 alpha-dihydroxy-22(29)-hopene (8), 3 beta,7 beta-dihydroxy-22(29)-hopene (9), 3 beta-acetoxy-15 alpha-hydroxy-22(29)-hopene (10), 3 beta,7 beta,15 alpha,22-tetrahydroxyhopane (11), 3 beta-acetoxy-7 beta,15 alpha,22-trihydroxyhopane (12), and 7 beta,15 alpha,22-trihydroxyhopane(13), were isolated from the scale insect pathogenic fungus Hypocrella sp. BCC 14524. The structures of the new compounds were elucidated by analyses of the NMR spectroscopic and mass spectrometry data. The structure of 1 was confirmed by X-ray crystallography.

  DOI：

  10.1021/np200429b