| 1410928-79-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• CAS: 1410928-79-8
• 化学式: C₃₉H₃₂O₆
• 分子量: 596.679
• InChiKey: XJUYCUDLFNIQRC-SXZDHJFLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.41
• 重原子数：
  45.0
• 可旋转键数：
  10.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  78.9
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  (4S,5S)-5-benzoyloxymethyl-3,4-dihydro-4-methylfuranone 在 吡啶 、 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 反应 13.0h， 生成
  参考文献：
  名称：

  Structural corrections of photinides A, B and their novel derivatives

  摘要：

  Stereochemistries of the C2=C8 double bond in photinides A and B were corrected to be reversed forms. The present studies also revised their absolute configurations by comparing the CD spectra of the degradation product with the corresponding synthetic sample. Discosia sp. SH 125 produced novel derivatives photinides X and Y, of which stereochemistry was established by NMR and CD analyses as well as theoretical calculations of the CD spectra. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.06.108