3,3'-Diethoxy-3,3',4,4'-tetradehydro-trans-β-carotin | 28840-15-5

• 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: 3,3'-Diethoxy-3,3',4,4'-tetradehydro-trans-β-carotin
• 英文别名: 3,3'-diethoxy-3,3',4,4'-tetradehydro-trans-β-carotene；4-ethoxy-1-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(4-ethoxy-2,6,6-trimethylcyclohexa-1,3-dien-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,6,6-trimethylcyclohexa-1,3-diene
• CAS: 28840-15-5
• 化学式: C₄₄H₆₀O₂
• 分子量: 620.959
• InChiKey: JNCZLFUHJVKXLI-DUPZBNAYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.1
• 重原子数：
  46
• 可旋转键数：
  14
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  5-(4,4-Ethylenndioxy-2,6,6-trimethyl-cyclohex-1-enyl)-3-methyl-penta-2,4-dienal 、 生成 3,3'-Diethoxy-3,3',4,4'-tetradehydro-trans-β-carotin
  参考文献：
  名称：

  合成含氧类胡萝卜素的新方法。

  摘要：

  AbstractSix keto carotenoids (4, 5, 6, 11, 12, and 22) were synthesized from intermediates which were prepared from the condensation products of mesityl oxide and acetoacetic ester. Compounds 4 and 22 can serve as precursors for zeaxanthin, while 5 can be used as an intermediate for xanthophyll. Echinenone and canthaxanthin were prepared by a new approach from vitamin A. Two new types of keto carotenoids with the keto functions incorporated into the unsaturated chain were prepared.

  DOI：

  10.1002/hlca.19700530513

文献信息

• US3974181A
  申请人：——

  公开号：US3974181A

  公开（公告）日：1976-08-10