assafoetidnol B | 403642-11-5

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: assafoetidnol B
• 英文别名: [(2S,4aS,5R,7S,8S,8aS)-7,8-dihydroxy-1,1,4a-trimethyl-6-methylidene-5-[(2-oxochromen-7-yl)oxymethyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-yl] acetate
• CAS: 403642-11-5
• 化学式: C₂₆H₃₂O₇
• 分子量: 456.536
• InChiKey: CKPWNMFJQJVNER-DVITTYBWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  33
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  102
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  4-溴苯甲酰氯 、 assafoetidnol B 在 吡啶 作用下， 以12 mg的产率得到assafoetidnol B di-p-bromobenzoate
  参考文献：
  名称：

  Sesquiterpene coumarins from the roots of Ferula assa-foetida

  摘要：

  From the chloroform extract of the roots of Ferula assa-foetida, two sesquiterpene coumarins designated assafoetidnol A and assafoetidnol B were isolated, in addition to six known compounds, gummosin, polyanthin, badrakemin, neveskone, samarcandin and galbanic acid. The structures of the sesquiterpenes new compounds were established by spectroscopic methods.

  DOI：

  10.1016/s0031-9422(01)00324-7

文献信息

• Sesquiterpene coumarins from the roots of Ferula assa-foetida
  作者：Mohamed H Abd El-Razek、Shinji Ohta、Ahmed A Ahmed、Toshifumi Hirata

  DOI：10.1016/s0031-9422(01)00324-7

  日期：2001.12

  From the chloroform extract of the roots of Ferula assa-foetida, two sesquiterpene coumarins designated assafoetidnol A and assafoetidnol B were isolated, in addition to six known compounds, gummosin, polyanthin, badrakemin, neveskone, samarcandin and galbanic acid. The structures of the sesquiterpenes new compounds were established by spectroscopic methods.

表征谱图