dehydrodiconiferyl alcohol 4-O-β-D-glucopyranoside | 107870-87-1

• 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: dehydrodiconiferyl alcohol 4-O-β-D-glucopyranoside
• 英文别名: 4-[(2R,3S)-2,3-Dihydro-3-(hydroxymethyl)-5-[(1E)-3-hydroxy-1-propen-1-yl]-7-methoxy-2-benzofuranyl]-2-methoxyphenyl I(2)-D-glucopyranoside；(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(2R,3S)-3-(hydroxymethyl)-5-[(E)-3-hydroxyprop-1-enyl]-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenoxy]oxane-3,4,5-triol
• CAS: 107870-87-1
• 化学式: C₂₆H₃₂O₁₁
• 分子量: 520.533
• InChiKey: SPWHQAUMLDQOFU-AQRJENMISA-N

物化性质

• 沸点：
  756.3±60.0 °C(Predicted)
• 密度：
  1.422±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  37
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  168
• 氢给体数：
  6
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  (E)-3-[(2R,3S)-2,3-dihydro-3-hydroxymethyl-7-methoxy-2-(3'-methoxy-4'-methoxymethoxyphenyl)-1-benzo[b]furan-5-yl]-2-propenal 在 盐酸 、 sodium tetrahydroborate 、 potassium carbonate 作用下， 以 甲醇 、 丙酮 为溶剂， 反应 24.0h， 生成 dehydrodiconiferyl alcohol 4-O-β-D-glucopyranoside
  参考文献：
  名称：

  On the absolute structure of optically active neolignans containing a dihydrobenzo[b]furan skeleton

  摘要：

  Several optically pure neolignans containing a dihydrobenzo[b]furan skeleton were synthesized. Based on an X-ray crystallographic study and circular dichroism results, the absolute configurations of some naturally occurring neolignans, namely balanophonin (1), PGI(2) inducer (2), dehydrodiconiferyl alcohol-4-beta-D-glucoside (3), dehydroconiferyl alcohol (4) and 3',4-di-O-methyicedrusin (5) have been unambiguously established. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(98)00725-x

文献信息

• On the absolute structure of optically active neolignans containing a dihydrobenzo[b]furan skeleton
  作者：Mabel S.M. Yuen、Feng Xue、Thomas C.W. Mak、Henry N.C. Wong

  DOI：10.1016/s0040-4020(98)00725-x

  日期：1998.10

  Several optically pure neolignans containing a dihydrobenzo[b]furan skeleton were synthesized. Based on an X-ray crystallographic study and circular dichroism results, the absolute configurations of some naturally occurring neolignans, namely balanophonin (1), PGI(2) inducer (2), dehydrodiconiferyl alcohol-4-beta-D-glucoside (3), dehydroconiferyl alcohol (4) and 3',4-di-O-methyicedrusin (5) have been unambiguously established. (C) 1998 Elsevier Science Ltd. All rights reserved.