1-O-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl] 4-O-[2,4,4-trimethyl-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-2-en-1-yl] butanedioate | 1037306-30-1

• 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: 1-O-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl] 4-O-[2,4,4-trimethyl-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-2-en-1-yl] butanedioate
• CAS: 1037306-30-1
• 化学式: C₆₄H₈₆O₅
• 分子量: 935.384
• InChiKey: IZFYMUFVWMNFES-LIKJIJBRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  17.5
• 重原子数：
  69
• 可旋转键数：
  22
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  69.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4-Oxo-4'-hydroxy-β-carotin 、 retinyl monosuccinate 在 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 以50%的产率得到1-O-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl] 4-O-[2,4,4-trimethyl-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-2-en-1-yl] butanedioate
  参考文献：
  名称：

  Dicarotenoid esters of bivalent acids

  摘要：

  For the evaluation of the synthesis of dendritic esters from carotenoids the C-20 apocarotenoid retinol was chosen for model studies, being a commercially available hydroxy carotenoid. Dimers were synthesized from retinol with dicarboxyl cores and from retinol succinate with other hydroxy carotenoids. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.03.137

文献信息

• Dicarotenoid esters of bivalent acids
  作者：Magdolna Háda、Veronika Nagy、Anikó Takátsy、József Deli、Attila Agócs

  DOI：10.1016/j.tetlet.2008.03.137

  日期：2008.5

  For the evaluation of the synthesis of dendritic esters from carotenoids the C-20 apocarotenoid retinol was chosen for model studies, being a commercially available hydroxy carotenoid. Dimers were synthesized from retinol with dicarboxyl cores and from retinol succinate with other hydroxy carotenoids. (c) 2008 Elsevier Ltd. All rights reserved.