brasilane A

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: brasilane A
• 英文别名: Brasilane A；N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2E)-2-(1,6,6-trimethyl-2,3,3a,5,7,7a-hexahydro-1H-inden-4-ylidene)propoxy]oxan-3-yl]acetamide
• 化学式: C₂₃H₃₉NO₆
• 分子量: 425.566
• InChiKey: ZTCHPQNUISFMBP-DYUSRDENSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  30
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.87
• 拓扑面积：
  108
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  brasilane A 在 盐酸 作用下， 以 水 为溶剂， 反应 3.0h， 以1.3 mg的产率得到氨基葡萄糖
  参考文献：
  名称：

  Brasilane sesquiterpenoids and alkane derivatives from cultures of the basidiomycete Coltricia sideroides

  摘要：

  Three new brasilane-type sesquiterpenoids, brasilanes A-C (1-3), together with two new alkane derivatives, colisiderin A (4) and 7(E),9(E)-undecandiene-2,4,5-triol (5), were isolated from cultures of the basidiomycete Coltricia sideroides. Their structures were elucidated by NMR and MS data analyses. The absolute configuration of 4 was determined by TDDFT ECD calculations while brasilane-type sesquiterpenoids were isolated from cultures of mushroom for the first time. Compounds 2 and 4 showed weak cytotoxicities against HL-60 and SW480, respectively. (C) 2015 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.fitote.2015.05.009