β,β-caroten-3-one | 599-50-8

• 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: β,β-caroten-3-one
• 英文别名: 2,6,6-Trimethyl-1-<3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-cyclohex-1-enyl)-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl>-cyclohex-1-en-4-on；Echininon (4-Keto-β-carotin)；3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-one
• CAS: 599-50-8
• 化学式: C₄₀H₅₄O
• 分子量: 550.868
• InChiKey: LPJXKPAOPNNRCP-QQGJMDNJSA-N

物化性质

• 沸点：
  681.4±24.0 °C(Predicted)
• 密度：
  0.972±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  11.9
• 重原子数：
  41
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  β,β-caroten-3-one 在 silica gel 作用下， 生成 2,6,6-Trimethyl-1-<3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-cyclohex-2-enyliden)-octadeca-2,4,6,8,10,12,14,16-octaenyliden>-cyclohex-2-en-4-on
  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
• 作为产物：
  描述：

  3,3-Ethylendioxy-trans-β-carotin 在 硫酸 作用下， 以 二氯甲烷 、 丙酮 为溶剂， 生成 β,β-caroten-3-one
  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

• US6551807B1
  申请人：——

  公开号：US6551807B1

  公开（公告）日：2003-04-22
• [EN] USE OF 3'-DEHYDROLUTEIN AS A FEED ADDITIVE<br/>[FR] UTILISATION DE 3'-DÉHYDROLUTÉINE COMME ADDITIF ALIMENTAIRE
  申请人：DSM IP ASSETS BV

  公开号：WO2012079928A1

  公开（公告）日：2012-06-21

  The present invention relates to the use 3-Dehydrolutein derivatives or metabolites thereof as an additive for animal feed. More particular, this invention relates to the use of 3-Dehydrolutein as an additive for poultry feed to provide desirable yellow coloration of egg yolks and poultry skins. Furthermore, the present invention relates to a novel feed composition for poultry feed which composition comprises as active pigmenting ingredients 3-Dehydrolutein and derivatives or metabolites thereof.