pestaloquinol A | 1269996-21-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 萘并吡喃类
• 英文名称: pestaloquinol A
• 英文别名: (1S,2R,4R,6R,8S,11S,15S,16R,17S,20R,22R,24S,27S,30R)-8,24-dihydroxy-9,9,25,25-tetramethyl-15,30-dipentyl-5,10,14,21,26,29-hexaoxanonacyclo[15.11.2.02,12.02,16.04,6.06,11.018,28.020,22.022,27]triaconta-12,18(28)-diene-3,19-dione
• CAS: 1269996-21-5
• 化学式: C₃₈H₅₂O₁₀
• 分子量: 668.825
• InChiKey: QOGRHXMXZZVQKH-GYNGZHTOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  48
• 可旋转键数：
  8
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.84
• 拓扑面积：
  137
• 氢给体数：
  2
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  pestaloquinol A 、 (R)-methoxytrifluoromethylphenylacetyl chloride 在 氘代吡啶 作用下， 反应 20.0h， 以0.9 mg的产率得到
  参考文献：
  名称：

  Pestaloquinols A and B, Isoprenylated Epoxyquinols from Pestalotiopsis sp.

  摘要：

  Two new isoprenylated epoxyquinol derivatives, pestaloquinols A (2) and B (3), and their putative biosynthetic precursor, cytosporin D (1), were isolated from the crude extract of the plant endophytic fungus Pestalotiopsis sp. The structures of these compounds were elucidated primarily by NMR experiments. Pestaloquinols A (2) and B (3) possess a previously undescribed nonacyclic ring system and showed cytotoxicity against HeLa cells.

  DOI：

  10.1021/np100723t