[(1R,4R,6S,7R,8R,9S,11S,13R,18R,19S,20R,32R,33R,34S,35R)-19,34,35-triacetyloxy-7,8-dihydroxy-6-methoxy-16,16-dimethyl-22,29-dioxo-2,5,10,12,15,17,21,30,36-nonaoxahexacyclo[30.3.1.04,9.011,20.013,18.023,28]hexatriaconta-23,25,27-trien-33-yl] acetate | 187396-35-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [(1R,4R,6S,7R,8R,9S,11S,13R,18R,19S,20R,32R,33R,34S,35R)-19,34,35-triacetyloxy-7,8-dihydroxy-6-methoxy-16,16-dimethyl-22,29-dioxo-2,5,10,12,15,17,21,30,36-nonaoxahexacyclo[30.3.1.04,9.011,20.013,18.023,28]hexatriaconta-23,25,27-trien-33-yl] acetate
• CAS: 187396-35-6
• 化学式: C₃₈H₄₈O₂₂
• 分子量: 856.786
• InChiKey: ULMMEXSFGZBNTD-IBBLVCQCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  60
• 可旋转键数：
  9
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  272
• 氢给体数：
  2
• 氢受体数：
  22

反应信息

• 作为反应物：
  描述：

  [(1R,4R,6S,7R,8R,9S,11S,13R,18R,19S,20R,32R,33R,34S,35R)-19,34,35-triacetyloxy-7,8-dihydroxy-6-methoxy-16,16-dimethyl-22,29-dioxo-2,5,10,12,15,17,21,30,36-nonaoxahexacyclo[30.3.1.04,9.011,20.013,18.023,28]hexatriaconta-23,25,27-trien-33-yl] acetate 在 sodium methylate 、 氢气 作用下， 生成
  参考文献：
  名称：

  Synthesis of a branched oligosaccharide by remote glycosidation

  摘要：

  We describe a remote glycosidation that allows us to form a branched trisaccharide in intramolecular fashion. The molecular design of the spacer molecule for the remote glycosidation was examined based on molecular mechanics calculations. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/s0040-4039(96)02196-x
• 作为产物：
  描述：

  2-O-[(4aR,7R,8S,8aR)-8-acetyloxy-6-fluoro-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] 1-O-[[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methoxy]oxan-2-yl]methyl] benzene-1,2-dicarboxylate 在 二氯二茂铪 、 silver trifluoromethanesulfonate 作用下， 以 二氯甲烷 为溶剂， 反应 4.5h， 以37%的产率得到[(1R,4R,6S,7R,8R,9S,11S,13R,18R,19S,20R,32R,33R,34S,35R)-19,34,35-triacetyloxy-7,8-dihydroxy-6-methoxy-16,16-dimethyl-22,29-dioxo-2,5,10,12,15,17,21,30,36-nonaoxahexacyclo[30.3.1.04,9.011,20.013,18.023,28]hexatriaconta-23,25,27-trien-33-yl] acetate
  参考文献：
  名称：

  Synthesis of a branched oligosaccharide by remote glycosidation

  摘要：

  We describe a remote glycosidation that allows us to form a branched trisaccharide in intramolecular fashion. The molecular design of the spacer molecule for the remote glycosidation was examined based on molecular mechanics calculations. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/s0040-4039(96)02196-x