vibranether | 1574556-84-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: vibranether
• 英文别名: Vibranether；1-(2,2-dimethylchromen-6-yl)-1-methoxypropan-2-ol
• CAS: 1574556-84-5
• 化学式: C₁₅H₂₀O₃
• 分子量: 248.322
• InChiKey: UVJUTMTZGXQIAV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  38.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  vibranether 、 4-溴苯甲酰氯 在 4-二甲氨基吡啶 作用下， 以 二氯甲烷 为溶剂， 反应 4.0h， 以80%的产率得到
  参考文献：
  名称：

  Three new compounds from the cultures of basidiomyceteBoreostereum vibrans

  摘要：

  Three new compounds, vibranether (1), myrrhlalkyldiol (2), vibralactone H (3), together with three known compounds, 2-methyl-6-p-tolylheptane-2,3-diol (4), 2-hydroxy-2-methyl-6-p-tolylheptan-3-one (5), and vibralactone (6), were isolated from the cultures of the basidiomycete Boreostereum vibrans. Their structures were determined on the basis of spectroscopic evidences (1D and 2D NMR, HRMS, UV, and IR data), chemical methods, and the literature data. The new compounds displayed no significant cytotoxicities against five human cancer cell lines (IC50>40M).

  DOI：

  10.1080/10286020.2013.824429

文献信息

• Three new compounds from the cultures of basidiomycete<i>Boreostereum vibrans</i>
  作者：Gang-Qiang Wang、Kun Wei、Zheng-Hui Li、Tao Feng、Jian-Hai Ding、Qiu-An Wang、Ji-Kai Liu

  DOI：10.1080/10286020.2013.824429

  日期：2013.9

  Three new compounds, vibranether (1), myrrhlalkyldiol (2), vibralactone H (3), together with three known compounds, 2-methyl-6-p-tolylheptane-2,3-diol (4), 2-hydroxy-2-methyl-6-p-tolylheptan-3-one (5), and vibralactone (6), were isolated from the cultures of the basidiomycete Boreostereum vibrans. Their structures were determined on the basis of spectroscopic evidences (1D and 2D NMR, HRMS, UV, and IR data), chemical methods, and the literature data. The new compounds displayed no significant cytotoxicities against five human cancer cell lines (IC50>40M).