Cannabisin A hexaacetate | 130508-47-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: Cannabisin A hexaacetate
• 英文别名: [4-[2-[[6,7-diacetyloxy-3-[2-(4-acetyloxyphenyl)ethylcarbamoyl]-4-(3,4-diacetyloxyphenyl)naphthalene-2-carbonyl]amino]ethyl]phenyl] acetate
• CAS: 130508-47-3
• 化学式: C₄₆H₄₂N₂O₁₄
• 分子量: 846.844
• InChiKey: YVMADEFVNORMIU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  62
• 可旋转键数：
  21
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  216
• 氢给体数：
  2
• 氢受体数：
  14

反应信息

• 作为产物：
  描述：

  cannabisin B hexaacetate 在 2,3-二氯-5,6-二氰基-1,4-苯醌 作用下， 以 二氯甲烷 为溶剂， 以28 mg的产率得到Cannabisin A hexaacetate
  参考文献：
  名称：

  Three phenyldihydronaphthalene lignanamides from fruits of Cannabis sativa

  摘要：

  Three new lignanamides, named cannabisin B, C and D, were isolated from the fruits of Cannabis sativa. Their structures have been elucidated based on spectral and chemical evidence.

  DOI：

  10.1016/0031-9422(92)83479-i

文献信息

• Cannabisin A, an arylnaphthalene lignanamide from fruits of Cannabis sativa
  作者：Iwao Sakakibara、Takao Katsuhara、Yukinobu Ikeya、Koji Hayashi、Hiroshi Mitsuhashi

  DOI：10.1016/s0031-9422(00)98242-6

  日期：1991.1

  A new lignanamide, named cannabisin A, a known lignanamide, grossamide, and three known amides, N-trans-caffeoyltyramine, N-trans-feruloyltyramine, N-p-coumaroyltyramine, were isolated from the fruits of Cannabis sativa. The structure of cannabisin A has been established as 6,7-dihydroxy-1-(3,4-dihydroxyphenyl)-N1,N2-bis-[2-(4-hydroxyphenyl)ethyl]-2,3-naphthalenedicarboxamide, on the basis of chemical and spectral evidence.
• Three phenyldihydronaphthalene lignanamides from fruits of Cannabis sativa
  作者：Iwao Sakakibara、Yukinobu Ikeya、Koji Hayashi、Hiroshi Mitsuhashi

  DOI：10.1016/0031-9422(92)83479-i

  日期：1992.9

  Three new lignanamides, named cannabisin B, C and D, were isolated from the fruits of Cannabis sativa. Their structures have been elucidated based on spectral and chemical evidence.