(1S,4R,5S,6R,7R,8R,9S,10S)-6,8-diacetoxy-1,9-dibenzoyloxydihydro-β-agarofuran | 1034143-36-6

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: (1S,4R,5S,6R,7R,8R,9S,10S)-6,8-diacetoxy-1,9-dibenzoyloxydihydro-β-agarofuran
• 英文别名: [(1S,2R,5S,6S,7S,8R,9R,12R)-8,12-diacetyloxy-7-benzoyloxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-5-yl] benzoate
• CAS: 1034143-36-6
• 化学式: C₃₃H₃₈O₉
• 分子量: 578.659
• InChiKey: ULVXABAIWWZKTL-FAGROPTLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  42
• 可旋转键数：
  10
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  114
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  (1S,4R,5S,6R,7R,8R,9S,10S)-6,8-diacetoxy-9-benzoyloxy-1-hydroxy-β-dihydroagarofuran 、 苯甲酰氯 在 吡啶 、 4-二甲氨基吡啶 作用下， 反应 48.0h， 以4.0 mg的产率得到(1S,4R,5S,6R,7R,8R,9S,10S)-6,8-diacetoxy-1,9-dibenzoyloxydihydro-β-agarofuran
  参考文献：
  名称：

  Cytotoxic Dihydroagarofuranoid Sesquiterpenes from the Seeds of Celastrus orbiculatus

  摘要：

  A chemical study on the seeds of Celastrus orbiculatus has led to the isolation of nine new (1-9) and 13 known dihydro-beta-agarofuran derivatives. The identification and structural elucidation of the new compounds were based on spectroscopic data analysis, and the absolute configurations of compounds 1-6, 8-10, and 16, as well as derivatives 2a and 6a, were determined by CD studies or by chemical methods. All compounds isolated were evaluated for cytotoxic activity against HL-60 human leukemia cells.

  DOI：

  10.1021/np800052d