(2R,3S)-(-)-dehydrodiconiferyl alcohol 12-O-β-D-apiofuranosyl-(1->2)-β-D-glucopyranoside | 1307910-13-9

• 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: (2R,3S)-(-)-dehydrodiconiferyl alcohol 12-O-β-D-apiofuranosyl-(1->2)-β-D-glucopyranoside
• 英文别名: barlericin；(2R,3S,4S,5R,6R)-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-6-[(E)-3-[(2R,3S)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]prop-2-enoxy]-2-(hydroxymethyl)oxane-3,4-diol
• CAS: 1307910-13-9
• 化学式: C₃₁H₄₀O₁₅
• 分子量: 652.65
• InChiKey: CBEKDIBQFMJOKT-KVZWILQRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.9
• 重原子数：
  46
• 可旋转键数：
  12
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  226
• 氢给体数：
  8
• 氢受体数：
  15

反应信息

• 作为反应物：
  描述：

  (2R,3S)-(-)-dehydrodiconiferyl alcohol 12-O-β-D-apiofuranosyl-(1->2)-β-D-glucopyranoside 在 盐酸 作用下， 以 甲醇 为溶剂， 反应 4.0h， 生成 (7R,8S)-去氢二松柏醇
  参考文献：
  名称：

  Structure of barlericin, the neolignan diglycoside from Barleria acanthoides

  摘要：

  Barlericin, the new neolignan diglycoside, has been isolated from the n-butanol soluble sub-fraction of Barleria acanthoides along with dehydrodiconiferyl alcohol 12-O--d-glucopyranoside (2), reported for the first time from the genus Barleria. Their structures have been assigned on the basis of spectral studies.

  DOI：

  10.1080/10286020.2010.489895

文献信息

• Structure of barlericin, the neolignan diglycoside from <i>Barleria acanthoides</i>
  作者：Aman Karim、Atia Tun Noor、Abdul Malik

  DOI：10.1080/10286020.2010.489895

  日期：2010.8.1

  Barlericin, the new neolignan diglycoside, has been isolated from the n-butanol soluble sub-fraction of Barleria acanthoides along with dehydrodiconiferyl alcohol 12-O--d-glucopyranoside (2), reported for the first time from the genus Barleria. Their structures have been assigned on the basis of spectral studies.