| 1010099-33-8

• 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
• CAS: 1010099-33-8
• 化学式: C₁₀₈H₁₀₄O₂₂
• 分子量: 1754.0
• InChiKey: DUZPNHOESREWTJ-KHWUVULUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  19.47
• 重原子数：
  130.0
• 可旋转键数：
  32.0
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  281.46
• 氢给体数：
  0.0
• 氢受体数：
  22.0

反应信息

• 作为反应物：
  描述：

  在 sodium methylate 作用下， 以 甲醇 为溶剂， 反应 0.5h， 以93%的产率得到(3S,3'R)-3,3'-di(β-D-glucopyranosyloxy)-β,β-caroten-4-one
  参考文献：
  名称：

  Identification of astaxanthin diglucoside diesters from snow alga Chlamydomonas nivalis by liquid chromatography–atmospheric pressure chemical ionization mass spectrometry

  摘要：

  A method is described for the identification of astaxanthin glucoside esters from snow alga Chlamydomonas nivalis by means of liquid chromatography-mass spectrometry with atmospheric pressure chemical ionization (LC-MS/APCI). The method is based on the use of preparative HPLC and subsequent identification of astaxanthin diglucoside diesters by microbore LC-MS/APCI. The combination of these two techniques was used to identify more than 100 molecular species. The astaxanthin diglucoside diester, i.e. (all-E)-[di-(6-O-oleoyl-beta-D-glucopyranosyloxy)]-astaxanthin, was also synthesized to unambiguously confirm its structure. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.phytochem.2007.06.025
• 作为产物：
  描述：

  2,3,4,6-tetra-O-benzoyl-β-D-glucopyranosyl bromide 、 虾青素 在 4 A molecular sieve 、 silver trifluoromethanesulfonate 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 以31%的产率得到
  参考文献：
  名称：

  Identification of astaxanthin diglucoside diesters from snow alga Chlamydomonas nivalis by liquid chromatography–atmospheric pressure chemical ionization mass spectrometry

  摘要：

  A method is described for the identification of astaxanthin glucoside esters from snow alga Chlamydomonas nivalis by means of liquid chromatography-mass spectrometry with atmospheric pressure chemical ionization (LC-MS/APCI). The method is based on the use of preparative HPLC and subsequent identification of astaxanthin diglucoside diesters by microbore LC-MS/APCI. The combination of these two techniques was used to identify more than 100 molecular species. The astaxanthin diglucoside diester, i.e. (all-E)-[di-(6-O-oleoyl-beta-D-glucopyranosyloxy)]-astaxanthin, was also synthesized to unambiguously confirm its structure. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.phytochem.2007.06.025