trigonotin B | 1036375-79-7

• 分子结构分类: 有机化合物 - 木脂素、新木脂素和相关化合物 - 木脂素苷
• 英文名称: trigonotin B
• 英文别名: [(2R,3S,4S,5R,6R)-6-[[(1S,4S,5R,17R,19S,20R)-8,20-dihydroxy-5-(4-hydroxy-3-methoxyphenyl)-19-(hydroxymethyl)-9-methoxy-3,14-dioxo-2,15,18-trioxatetracyclo[15.2.1.04,13.06,11]icosa-6,8,10,12-tetraen-19-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate
• CAS: 1036375-79-7
• 化学式: C₃₄H₃₈O₁₈
• 分子量: 734.665
• InChiKey: XOMTWRCRDIWSSU-RHBOSXCVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.2
• 重原子数：
  52
• 可旋转键数：
  9
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  267
• 氢给体数：
  7
• 氢受体数：
  18

反应信息

• 作为反应物：
  描述：

  trigonotin B 在 水 、 sodium methylate 作用下， 以9.9 mg的产率得到(1R,2S)-7-Hydroxy-1-(4-hydroxy-3-methoxy-phenyl)-6-methoxy-1,2-dihydro-naphthalene-2,3-dicarboxylic acid dimethyl ester
  参考文献：
  名称：

  Identification of Sucrose Diesters of Aryldihydronaphthalene-Type Lignans from Trigonotis peduncularis and the Nature of Their Fluorescence

  摘要：

  Phytochemical investigation of Trigonotis peduncularis resulted in the isolation of three aryldihydronaphthalene-type lignan sucrose diesters named trigonotins A-C (1-3). These lignans showed a strong yellow-green fluorescence emission under basic conditions. The structures of the new compounds were elucidated by means of spectroscopic methods, and the nature of their fluorescence was examined.

  DOI：

  10.1021/np800071r