4-[(2S,3R)-2,3-dihydro-3-(hydroxymethyl)-5-(3-hydroxypropyl)-7-(methoxy)benzofuran-1-yl]-2-methoxyphenyl β-D-glucopyranoside | 131723-83-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 2-芳基苯并呋喃类黄酮
• 英文名称: 4-[(2S,3R)-2,3-dihydro-3-(hydroxymethyl)-5-(3-hydroxypropyl)-7-(methoxy)benzofuran-1-yl]-2-methoxyphenyl β-D-glucopyranoside
• 英文别名: (2S,3R)-2,3-dihydro-2-(4'-hydroxy-3'-methoxyphenyl)-3-hydroxymethyl-7-methoxy-5-benzofuranpropanol 4'-O-β-D-glucopyranoside；(2S,3R)-2,3-dihydro-7-methoxy-2-(4'-hydroxy-3'-methoxyphenyl)-3-hydroxymethyl-5-benzofuranpropanol 4'-O-β-D-glucopyranoside；(7'S, 8'R)-dihydrodehydrodiconiferyl alcohol 4'-O-β-D-glucopyranoside；(7S,8R)-dihydrodehydrodiconiferyl alcohol 4-O-β-D-glucopyranoside；(7S,8R)-dihydrodehydrodiconiferyl alcohol-4-O-β-D-glucopyranoside；(7S,8R)-4-β-D-glucopyranosyloxydihydrodehydrodiconiferyl alcohol；Urolignoside；(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(2S,3R)-3-(hydroxymethyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenoxy]oxane-3,4,5-triol
• CAS: 131723-83-6
• 化学式: C₂₆H₃₄O₁₁
• 分子量: 522.549
• InChiKey: NYAPVWGUAUDHRY-KUCLMONLSA-N

物化性质

• 沸点：
  736.5±60.0 °C(Predicted)
• 密度：
  1.396±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  37
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  168
• 氢给体数：
  6
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  4-[(2S,3R)-2,3-dihydro-3-(hydroxymethyl)-5-(3-hydroxypropyl)-7-(methoxy)benzofuran-1-yl]-2-methoxyphenyl β-D-glucopyranoside 在 β-glucosidase 作用下， 以 various solvent(s) 为溶剂， 反应 2.5h， 以12 mg的产率得到二氢去氢二愈创木基醇
  参考文献：
  名称：

  Neolignan glucosides from Jasminum urophyllum

  摘要：

  A novel neolignan-secoiridoid glucoside, jasurolignoside, and a new neolignan, urolignoside, have been isolated from Jasminum urophyllum. Their structures were elucidated on the basis.of 2D-NMR and chemical methods. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0031-9422(98)00032-6
• 作为产物：
  描述：

  jasurolignoside 在 sodium hydroxide 作用下， 以35 mg的产率得到4-[(2S,3R)-2,3-dihydro-3-(hydroxymethyl)-5-(3-hydroxypropyl)-7-(methoxy)benzofuran-1-yl]-2-methoxyphenyl β-D-glucopyranoside
  参考文献：
  名称：

  Neolignan glucosides from Jasminum urophyllum

  摘要：

  A novel neolignan-secoiridoid glucoside, jasurolignoside, and a new neolignan, urolignoside, have been isolated from Jasminum urophyllum. Their structures were elucidated on the basis.of 2D-NMR and chemical methods. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0031-9422(98)00032-6

文献信息

• Neolignan glucosides from Jasminum urophyllum
  作者：Ya-Ching Shen、Pei-Wen Hsieh、Yao-Haur Kuo

  DOI：10.1016/s0031-9422(98)00032-6

  日期：1998.6

  A novel neolignan-secoiridoid glucoside, jasurolignoside, and a new neolignan, urolignoside, have been isolated from Jasminum urophyllum. Their structures were elucidated on the basis.of 2D-NMR and chemical methods. (C) 1998 Elsevier Science Ltd. All rights reserved.