(7′E,7S,8S)-9′-hydroxy-7′-propen-3′-methoxyphenyl-4-hydroxy-3-methoxyphenyl-7,9-propanediol

• 分子结构分类: 有机化合物 - 木脂素、新木脂素和相关化合物
• 英文名称: (7′E,7S,8S)-9′-hydroxy-7′-propen-3′-methoxyphenyl-4-hydroxy-3-methoxyphenyl-7,9-propanediol
• 英文别名: 1-(4-hydroxy-3-phenyl)-2-<2-methoxy-4-<1-(E)-propene-3-ol>-phenoxy>-propane-1,3-diol；threo-(7R,8R)-1-(4-hydroxy-3-methoxyphenyl)-2-[4-[(E)-3-hydroxy-1-propenyl]-2-methoxyphenoxy]-1,3-propanediol；threo-(7R,8R)-1-(4-hydroxy-3-methoxyphenyl)-2-{4-[(E)-3-hydroxy-1-propenyl]-2-methoxyphenoxy}-1,3-propanediol；threo-1-(4-hydroxy-3-methoxyphenyl)-2-{4-[(E)-3-hydroxy-1-propenyl]-2-methoxyphenoxy}-1,3-propanediol；(7R,8R,7'E)-7',8'-didehydro-4,7,9,9'-tetrahydroxy-3-methoxy-8-O-4'-neolignan；longifloroside B；threo-Guaiacylglycerol beta-coniferyl ether；(1R,2R)-1-(4-hydroxy-3-methoxyphenyl)-2-[4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenoxy]propane-1,3-diol
• 化学式: C₂₀H₂₄O₇
• 分子量: 376.406
• InChiKey: FYEZJIXULOZDRT-FMEUAVTJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  27
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  109
• 氢给体数：
  4
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  (7R,8R)-9'-[β-D-apiofuranosyl-(1->6)-β-D-glucopyranosyloxy]-3,3'-dimethoxy-8,4'-oxyneolign-7'-ene-4,7,9-triol 在 hesperidinase H₈₁₃₇ 、 吡啶 、 L-半胱氨酸甲酯盐酸盐 、 N,O-双(三甲基硅烷基)三氟乙酰胺 作用下， 反应 17.0h， 生成 可得然胶 、 3-(C-hydroxymethyl)-β-D-erythrofuranose 、 (7′E,7S,8S)-9′-hydroxy-7′-propen-3′-methoxyphenyl-4-hydroxy-3-methoxyphenyl-7,9-propanediol
  参考文献：
  名称：

  A novel 8,4′-oxyneolignan diglycoside from Ligusticum sinensis

  摘要：

  A novel 8,4 '-oxyneolignan diglycoside, named ligusinenoside D (1), was isolated from the rhizomes of Ligusticum sinensis, together with five known analogues 2-6. The absolute configurations of 1 and 2 were elucidated by means of enzymatic hydrolysis and spectroscopic data. (C) 2011 Jian Ping Ma. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2011.07.018

文献信息

• NOVEL PHYTOCHEMICALS FROM EXTRACTS OF MAPLE SYRUPS AND MAPLE TREES AND USES THEREOF
  申请人：Seeram Navindra P.

  公开号：US20130267474A1

  公开（公告）日：2013-10-10

  The present invention describes phytochemicals present in maple syrup and maple tree extracts by butanol, ethyl acetate and methanol. Novel compounds are isolated from maple syrups, including one compound Quebecol generated in the maple syrup manufacturing process. Also described are digesting extract of maple syrup. The phytochemicals may be used for the treatment or prevention of cancers, metabolic syndromes, diabetes, microorganism infections and/or antioxidants.
• A novel 8,4′-oxyneolignan diglycoside from Ligusticum sinensis
  作者：Jian Ping Ma、Chang Heng Tan、Da Yuan Zhu、Ling Jin

  DOI：10.1016/j.cclet.2011.07.018

  日期：2011.12

  A novel 8,4 '-oxyneolignan diglycoside, named ligusinenoside D (1), was isolated from the rhizomes of Ligusticum sinensis, together with five known analogues 2-6. The absolute configurations of 1 and 2 were elucidated by means of enzymatic hydrolysis and spectroscopic data. (C) 2011 Jian Ping Ma. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.