2-O-palmitoyl-1,3-O-benzylideneglycerol | 56599-87-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 2-O-palmitoyl-1,3-O-benzylideneglycerol
• 英文别名: 5-hexadecanoyloxy-2-phenyl-[1,3]dioxane；2-palmitoyl-1,3-benzylidene glycerol；1,3-Benzyliden-2-palmitoylglycerin；Hexadecanoic acid, 2-phenyl-1,3-dioxan-5-yl ester；(2-phenyl-1,3-dioxan-5-yl) hexadecanoate
• CAS: 56599-87-2
• 化学式: C₂₆H₄₂O₄
• 分子量: 418.617
• InChiKey: WSWDNKINQWKQGR-UHFFFAOYSA-N

物化性质

• 熔点：
  62.4 °C(Solv: ethanol (64-17-5))
• 沸点：
  510.5±50.0 °C(Predicted)
• 密度：
  1.01±0.1 g/cm3(Predicted)
• 溶解度：
  可溶于乙酸乙酯、二氯甲烷

计算性质

• 辛醇/水分配系数(LogP)：
  8.6
• 重原子数：
  30
• 可旋转键数：
  17
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  44.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-O-palmitoyl-1,3-O-benzylideneglycerol 在 硼酸三乙酯 、 硼酸 作用下， 生成 2-单棕榈酸甘油
  参考文献：
  名称：

  Auteri,S.C.; Cameron,D.W., Australian Journal of Chemistry, 1977, vol. 30, p. 2487 - 2492

  摘要：

  DOI：
• 作为产物：
  描述：

  2-苯基-1,3-二氧六环-5-醇 生成 2-O-palmitoyl-1,3-O-benzylideneglycerol
  参考文献：
  名称：

  AUTERI S. C.; CAMERON D. W., AUSTRAL. J. CHEM. , 1977, 30, NO 11, 2487-2492

  摘要：

  DOI：

文献信息

• Functional acylglycerides
  申请人：Natural ASA

  公开号：US20030144353A1

  公开（公告）日：2003-07-31

  The present invention relates to the field of human and animal nutrition, and in particular to certain novel compositions of conjugated linoleic acids (CLA). In particular, the present invention relates certain isomers of conjugated linoleic acids at either the SN1 and SN3 or SN2 positions of the acylglyceride molecule and another fatty acyl residue at the other of the SN1 and SN3 or SN2 positions of the acylglyceride molecule. These novel acylglyceride compositions containing conjugated linoleic acyl residues, medium chain fatty acyl residues, long chain fatty acyl residues, and &ohgr;3, &ohgr;6, and &ohgr;9 fatty acyl residues are efficacious as pharmaceutical compositions, animal feed additives, and human dietary supplements.

  本发明涉及人类和动物营养领域，特别是某些共轭亚油酸（CLA）的新型组合物。具体而言，本发明涉及在酰基甘油分子的SN1和SN3或SN2位置上的某些共轭亚油酸异构体以及在酰基甘油分子的SN1和SN3或SN2位置上的另一种脂肪酰残基。这些新型酰基甘油组成物包含共轭亚油酸酰残基、中链脂肪酰残基、长链脂肪酰残基和&ohgr;3、&ohgr;6和&ohgr;9脂肪酰残基，可作为制药组合物、动物饲料添加剂和人类膳食补充剂。
• Synthesis of 1-lyso-2-palmitoyl-rac-glycero-3-phosphocholine and its regioisomers and structural elucidation by NMR spectroscopy and FAB tandem mass spectrometry
  作者：Young-Ah Kim、Myoung-Soon Park、Young Hwan Kim、So-Yeop Han

  DOI：10.1016/s0040-4020(03)00282-5

  日期：2003.4

  Three regioisomers of a naturally occurring lysophosphatidylcholine were chemically synthesized from glycerol. The phosphocholine moiety of the molecule was introduced by sequentially reacting with ethylene chlorophosphite, bromine, water, and trimethyl amine. Removal of a silyl protecting group of the hydroxyl group in the glycerol backbone was achieved without any accompanying acyl migration in the final stage of the synthesis by using NBS in a dimethyl sulfoxide-water cosolvent system. Structures of all regioisomers were compared by NMR spectroscopy and FAB tandem mass spectrometry. (C) 2003 Elsevier Science Ltd. All rights reserved.
• TACHIBANA, SANRO;OHKUBO, KATSUMI;SUMIMOTO, MASASHI, MOKUDZAJ GAKKAJSI, 36,(1990) N, S. 398-407
  作者：TACHIBANA, SANRO、OHKUBO, KATSUMI、SUMIMOTO, MASASHI

  DOI：——

  日期：——
• TACHIBANA, SANRO;OHKUBO, KATSUMI;SUMIMOTO, MASASHI, MOKUDZAJ GAKKAJSI, 36,(1990) N, S. 408-415
  作者：TACHIBANA, SANRO、OHKUBO, KATSUMI、SUMIMOTO, MASASHI

  DOI：——

  日期：——
• FUNCTIONAL ACYLGLYCERIDES
  申请人：Natural ASA

  公开号：EP1456330A2

  公开（公告）日：2004-09-15