(3S,4R,5S,6S,7R,16S,17R,18S,19S,20R,29S,30R,31S,32S,33R,42S,43R,44S,45S,46R,55S,56R,57S,58S,59R)-4,5,6,17,18,19,30,31,32,43,44,45,56,57,58-pentadecahydroxy-2,9,15,22,28,35,41,48,54,61,68,71,74,77,80-pentadecaoxaundecacyclo[61.2.2.211,14.224,27.237,40.250,53.13,7.116,20.129,33.142,46.155,59]octaconta-1(66),11,13,24,26,37(73),38,40(72),50(70),51,53(69),63(67),64,75,78-pentadecaene-10,23,36,49,62-pentone | 1293384-71-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酯类和类似物
• 英文名称: (3S,4R,5S,6S,7R,16S,17R,18S,19S,20R,29S,30R,31S,32S,33R,42S,43R,44S,45S,46R,55S,56R,57S,58S,59R)-4,5,6,17,18,19,30,31,32,43,44,45,56,57,58-pentadecahydroxy-2,9,15,22,28,35,41,48,54,61,68,71,74,77,80-pentadecaoxaundecacyclo[61.2.2.211,14.224,27.237,40.250,53.13,7.116,20.129,33.142,46.155,59]octaconta-1(66),11,13,24,26,37(73),38,40(72),50(70),51,53(69),63(67),64,75,78-pentadecaene-10,23,36,49,62-pentone
• CAS: 1293384-71-0
• 化学式: C₆₅H₇₀O₃₅
• 分子量: 1411.25
• InChiKey: QBNQBXWIKSQGPA-HCZLUCAISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.4
• 重原子数：
  100
• 可旋转键数：
  0
• 环数：
  16.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  527
• 氢给体数：
  15
• 氢受体数：
  35

反应信息

• 作为产物：
  描述：

  (3S,4R,5S,6R,7R,16S,17R,18S,19R,20R,29S,30R,31S,32R,33R,42S,43R,44S,45R,46R,55S,56R,57S,58R,59R)-4,5,6,17,18,19,30,31,32,43,44,45,56,57,58-pentadecakis(phenylmethoxy)-2,9,15,22,28,35,41,48,54,61,68,71,74,77,80-pentadecaoxaundecacyclo[61.2.2.211,14.224,27.237,40.250,53.13,7.116,20.129,33.142,46.155,59]octaconta-1(66),11,13,24,26,37(73),38,40(72),50(70),51,53(69),63(67),64,75,78-pentadecaene-10,23,36,49,62-pentone 在 氢气 、 palladium(II) hydroxide 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 3.0h， 以100%的产率得到(3S,4R,5S,6S,7R,16S,17R,18S,19S,20R,29S,30R,31S,32S,33R,42S,43R,44S,45S,46R,55S,56R,57S,58S,59R)-4,5,6,17,18,19,30,31,32,43,44,45,56,57,58-pentadecahydroxy-2,9,15,22,28,35,41,48,54,61,68,71,74,77,80-pentadecaoxaundecacyclo[61.2.2.211,14.224,27.237,40.250,53.13,7.116,20.129,33.142,46.155,59]octaconta-1(66),11,13,24,26,37(73),38,40(72),50(70),51,53(69),63(67),64,75,78-pentadecaene-10,23,36,49,62-pentone
  参考文献：
  名称：

  寡聚4-（乙醇酰氧基）苯甲酸酯大环糖苷的合成

  摘要：

  首次合成了Clemoarmanoside A和Clemahexapetoside A，这两种新型的4-（糖氧基氧基）苯甲酸酯的新型环状二聚体，其中含有不寻常的d-吡喃戊糖作为糖单元之一。方便的合成方法适用于对称三聚体，四聚体和五聚体同源物的组装。合成澄清了天然产物报道的NMR数据的差异。Clemahexapetoside A的X射线衍射分析表明，它采用了扶手椅构型，两个碳水化合物环分别为手臂，两个芳香环分别为椅背和座位。

  DOI：

  10.1021/jo200440r