L-phenylalaninosecologanin B | 1416473-50-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: L-phenylalaninosecologanin B
• 英文别名: (2S)-2-[(3S,4R,4aS)-4-ethenyl-8-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyridin-7-yl]-3-phenylpropanoic acid
• CAS: 1416473-50-1
• 化学式: C₂₅H₃₁NO₁₀
• 分子量: 505.522
• InChiKey: KUYOOBCAZIUXQE-NJKXIOODSA-N

物化性质

• 沸点：
  790.0±60.0 °C(Predicted)
• 密度：
  1.47±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  36
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  166
• 氢给体数：
  5
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  L-phenylalaninosecologanin B 生成 葡萄糖
  参考文献：
  名称：

  Four new N-contained iridoid glycosides from flower buds ofLonicera japonica

  摘要：

  Four new N-contained iridoid glycosides, lonijapospiroside A (1), L-phenylalaninosecologanin B (2), L-phenylalaninosecologanin C (3), and dehydroprolinoylloganin A (4), were isolated from the flower buds of Lonicera japonica Thunb. Their structures were established on the basis of UV, IR, MS, and NMR spectral data.

  DOI：

  10.1080/10286020.2012.688038

文献信息

• Four new N-contained iridoid glycosides from flower buds of<i>Lonicera japonica</i>
  作者：Zhong-Fei Zheng、Qing-Jian Zhang、Ruo-Yun Chen、De-Quan Yu

  DOI：10.1080/10286020.2012.688038

  日期：2012.8

  Four new N-contained iridoid glycosides, lonijapospiroside A (1), L-phenylalaninosecologanin B (2), L-phenylalaninosecologanin C (3), and dehydroprolinoylloganin A (4), were isolated from the flower buds of Lonicera japonica Thunb. Their structures were established on the basis of UV, IR, MS, and NMR spectral data.