| 162518-31-2

• 分子结构分类: 有机化合物
• CAS: 162518-31-2
• 化学式: C₃₄H₃₈O₉
• 分子量: 590.67
• InChiKey: JEILIURGXGMQKW-ZQVJKEDASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.82
• 重原子数：
  43.0
• 可旋转键数：
  10.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  101.91
• 氢给体数：
  1.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  在 吡啶 、 dimethyl sulfide borane 作用下， 以 四氢呋喃 为溶剂， 生成 (2R,4aR,6S,7S,8S,8aR)-6,8-Bis-benzyloxy-7-((4R,5R)-2,2-diethyl-5-hydroxymethyl-[1,3]dioxolan-4-yl)-2-phenyl-hexahydro-pyrano[3,2-d][1,3]dioxin-7-ol
  参考文献：
  名称：

  Synthesis of a peracetylated stereoisomer of De Rosa's calditol: Some questions about the correctness of the original structure assigned to this natural product

  摘要：

  Comparison of the C-13 nmr spectrum of the nonacetate of a synthetic stereoisomer of calditol with that of the nonacetate of the natural product, combined with a comparison of the C-13 nmr spectrum of the peracetate of a hexitol derived from calditol with all known peracetates of open chain hexitols, invalidates the originally proposed structure.

  DOI：

  10.1016/0040-4039(94)02388-r
• 作为产物：
  描述：

  benzyl 3-O-benzyl-4,6-O-benzylidene-α-D-glucopiranoside 在 4 A molecular sieve 、 pyridinium chlorochromate 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Synthesis of a peracetylated stereoisomer of De Rosa's calditol: Some questions about the correctness of the original structure assigned to this natural product

  摘要：

  Comparison of the C-13 nmr spectrum of the nonacetate of a synthetic stereoisomer of calditol with that of the nonacetate of the natural product, combined with a comparison of the C-13 nmr spectrum of the peracetate of a hexitol derived from calditol with all known peracetates of open chain hexitols, invalidates the originally proposed structure.

  DOI：

  10.1016/0040-4039(94)02388-r