(S)-(4-hydroxyphenyl)-8-(R)-O-hydroxy-10-N-[(S)-2-methylbutyl]amidated-1,5,10-triazacyclotridecan-2-one | 1204767-46-3

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酰胺类
• 英文名称: (S)-(4-hydroxyphenyl)-8-(R)-O-hydroxy-10-N-[(S)-2-methylbutyl]amidated-1,5,10-triazacyclotridecan-2-one
• 英文别名: (2S,11R)-11-hydroxy-2-(4-hydroxyphenyl)-9-[(2S)-2-methylbutanoyl]-1,5,9-triazacyclotridecan-4-one
• CAS: 1204767-46-3
• 化学式: C₂₁H₃₃N₃O₄
• 分子量: 391.511
• InChiKey: HPYMTLSFDXVHRW-IPELMVKDSA-N

物化性质

• 沸点：
  673.1±55.0 °C(Predicted)
• 密度：
  1.115±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  28
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  102
• 氢给体数：
  4
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (S)-(4-hydroxyphenyl)-8-(R)-O-hydroxy-10-N-[(S)-2-methylbutyl]amidated-1,5,10-triazacyclotridecan-2-one 在 盐酸 作用下， 以 水 为溶剂， 反应 3.0h， 生成 (S)-(+)-2-甲基丁酸
  参考文献：
  名称：

  Meehanines A−K, Spermidine Alkaloidal Glycosides from Meehania urticifolia

  摘要：

  From the whole plant of Meehania urticifolia, 11 new spermidine alkaloidal glycosides, meehanines A-K (1-11), were isolated. The structures of these new compounds were elucidated on the basis of the results of spectroscopic data analysis.

  DOI：

  10.1021/np800691k
• 作为产物：
  描述：

  meehanine P 在 盐酸 、 水 作用下， 反应 1.0h， 生成 (S)-(4-hydroxyphenyl)-8-(R)-O-hydroxy-10-N-[(S)-2-methylbutyl]amidated-1,5,10-triazacyclotridecan-2-one
  参考文献：
  名称：

  Meehanines L−W, Spermidine Alkaloidal Glycosides from Meehania urticifolia

  摘要：

  Twelve new spermidine alkaloidal glycosides, meehanines L-W (1-12), were isolated from the whole plant Meehania urticifolia. The structures of these new compounds were elucidated on the basis of spectroscopic data analyses.

  DOI：

  10.1021/np900454r

文献信息

• Meehanines A−K, Spermidine Alkaloidal Glycosides from <i>Meehania urticifolia</i>
  作者：Toshihiro Murata、Toshio Miyase、Tsutomu Warashina、Fumihiko Yoshizaki

  DOI：10.1021/np800691k

  日期：2009.6.26

  From the whole plant of Meehania urticifolia, 11 new spermidine alkaloidal glycosides, meehanines A-K (1-11), were isolated. The structures of these new compounds were elucidated on the basis of the results of spectroscopic data analysis.
• Meehanines L−W, Spermidine Alkaloidal Glycosides from <i>Meehania urticifolia</i>
  作者：Toshihiro Murata、Toshio Miyase、Fumihiko Yoshizaki

  DOI：10.1021/np900454r

  日期：2009.11.30

  Twelve new spermidine alkaloidal glycosides, meehanines L-W (1-12), were isolated from the whole plant Meehania urticifolia. The structures of these new compounds were elucidated on the basis of spectroscopic data analyses.