1,3-二硬脂酰-2-油酰基甘油 | 2846-04-0

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 甘油脂
• 中文名称: 1,3-二硬脂酰-2-油酰基甘油
• 英文名称: 1,3-distearoyl-2-oleoylglycerol
• 英文别名: Glyceryl 1,3-distearate-2-oleate；[3-octadecanoyloxy-2-[(Z)-octadec-9-enoyl]oxypropyl] octadecanoate
• CAS: 2846-04-0
• 化学式: C₅₇H₁₀₈O₆
• 分子量: 889.481
• InChiKey: RBLADLVPSYELCA-IKPAITLHSA-N

物化性质

• 溶解度：
  氯仿（微溶）、乙酸乙酯（微溶）
• LogP：
  24.749 (est)
• 物理描述：
  Solid

计算性质

• 辛醇/水分配系数(LogP)：
  24.3
• 重原子数：
  63
• 可旋转键数：
  55
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  78.9
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  油酰氯 生成 1,3-二硬脂酰-2-油酰基甘油
  参考文献：
  名称：

  Schuster, Journal de Pharmacie et de Chimie, 1932, vol. <8>16, p. 424,430,465

  摘要：

  DOI：

文献信息

• Natural oil metathesis compositions and methods
  申请人：ELEVANCE RENEWABLE SCIENCES, INC.

  公开号：US09890348B2

  公开（公告）日：2018-02-13

  A metathesized natural oil composition comprising (i) a mixture olefins and/or esters, or (ii) a metathesized natural oil, is disclosed. The metathesized natural oil composition has a number average molecular weight in the range from about 100 g/mol to about 150,000 g/mol, a weight average molecular weight in the range from about 1,000 g/mol to about 100,000 g/mol, a z-average molecular weight in the range from about 5,000 g/mol to about 1,000,000 g/mol, and a polydispersity index of about 1 to about 20. The metathesized natural oil composition is metathesized at least once.

  揭示了一种发生了转位反应的天然油组合物，包括(i)混合物烯烃和/或酯，或(ii)经过转位反应的天然油。转位反应的天然油组合物具有数量平均分子量在大约100克/摩尔至大约150,000克/摩尔范围内，重量平均分子量在大约1,000克/摩尔至大约100,000克/摩尔范围内，z-平均分子量在大约5,000克/摩尔至大约1,000,000克/摩尔范围内，以及聚分散指数约为1至约20。转位反应的天然油组合物至少进行一次转位反应。
• Synthesis and Analysis of Symmetrical and Nonsymmetrical Disaturated/Monounsaturated Triacylglycerols
  作者：Richard O. Adlof、Gary R. List

  DOI：10.1021/jf021085l

  日期：2003.3.1

  the symmetrical triacylglycerols with >99% SUS structure. The more difficult to obtain 1,2-diacylglycerols were prepared by esterification of the enriched 1,2-diacylglycerol fraction (80-86% 1,2-diacylglycerols) remaining after removal of much of the 1,3-isomer by crystallization, but silver resin or silver nitrate impregnated silica gel chromatography was required to isolate the nonsymmetrical triacylglycerols

  SUS结构的对称不饱和三酰基甘油，其中S为硬脂酸（18：0），U为不饱和脂肪酸，既可以是油酸（O; 9cis-18：1），也可以是亚油酸（L; 9cis，12cis-18：2）或亚麻酸（Ln; 9cis，12cis，15cis-18：3）是重要的组分，可为酯交换的脂肪混合物和结构改性的油提供功能。SSU结构的不对称三酰基甘油可以显着改变熔点和固体脂肪含量曲线。为了表征纯的和对称的和非对称的三酰基甘油混合物的物理性质，已使用相同的反应顺序来制备多克量的三酰基甘油SUS和SSU。将ristearearin转化为单，二和三酰基甘油的混合物，并通过硅胶柱色谱分离出1,3-和1,2-二酰基甘油馏分。1 通过从丙酮中结晶除去3-二酰基甘油，并用适当的脂肪酸酯化以形成具有> 99％SUS结构的对称的三酰基甘油。通过结晶除去许多1,3-异构体后剩余的富集的1,2-二酰甘油部分（80-86％1,2-二酰甘油）进行酯化，制得更难获得的1
• Esterases and Related Nucleic Acids and Methods
  申请人：Mathur Eric J.

  公开号：US20090324574A1

  公开（公告）日：2009-12-31

  The invention provides hydrolases, polynucleotides encoding them, and methods of making and using these polynucleotides and polypeptides. In one aspect, the invention is directed to polypeptides, e.g., enzymes, having a hydrolase activity, e.g., an esterase, acylase, lipase, phospholipase (e.g., phosphplipase A, B, C and D activity, patatin activity, lipid acyl hydrolase (LAH) activity) or protease activity, including thermostable and thermotolerant hydrolase activity, and polynucleotides encoding these enzymes, and making and using these polynucleotides and polypeptides. The hydrolase activities of the polypeptides and peptides of the invention include esterase activity, lipase activity (hydrolysis of lipids), acidolysis reactions (to replace an esterified fatty acid with a free fatty acid), transesterification reactions (exchange of fatty acids between triglycerides), ester synthesis, ester interchange reactions, phospholipase activity and protease activity (hydrolysis of peptide bonds). The polypeptides of the invention can be used in a variety of pharmaceutical, agricultural and industrial contexts, including the manufacture of cosmetics and nutraceuticals. In another aspect, the polypeptides of the invention are used to synthesize enantiomerically pure chiral products.

  本发明提供了水解酶、编码它们的多核苷酸以及制备和使用这些多核苷酸和多肽的方法。在一个方面，本发明涉及具有水解酶活性的多肽，例如酯酶、酰化酶、脂肪酶、磷脂酶（例如磷脂酶A、B、C和D活性、薯蛋白活性、脂肪酰基水解酶（LAH）活性）或蛋白酶活性，包括热稳定和热耐受水解酶活性，以及编码这些酶的多核苷酸，制备和使用这些多核苷酸和多肽。本发明中多肽和多肽的水解酶活性包括酯酶活性、脂肪酶活性（水解脂肪）、酸解反应（用游离脂肪酸替代酯化脂肪酸）、酯交换反应（三酰甘油之间脂肪酸的交换）、酯合成、酯交换反应、磷脂酶活性和蛋白酶活性（水解肽键）。本发明中的多肽可用于各种制药、农业和工业环境中，包括化妆品和营养保健品的制造。在另一个方面，本发明中的多肽被用于合成对映纯手性产物。
• INTERMOLECULAR COMPOUNDS OF FATTY ACID TRIGLYCERIDES
  申请人：ARIMOTO SHIN

  公开号：US20080260931A1

  公开（公告）日：2008-10-23

  There are provided an intermolecular compound of (a) di-saturated medium chain fatty acids mono-saturated long chain fatty acid triglyceride and (b) 1,3-di-saturated long chain fatty acids 2-mono-unsaturated long chain fatty acid triglyceride, of which a long spacing value by X-ray diffraction is 65 Å or more, and foods containing the intermolecular compound. The intermolecular compound can be used as a part of fats and oils that constitute foods. Due to formation of the intermolecular compound, the fats and oils containing large amounts of symmetric triglycerides such as cocoa butter and those containing medium chain fatty acids do not form separate crystals and, therefore, can keep smooth texture and prevent blooming.

  提供了一种分子间化合物，其由（a）二饱和中链脂肪酸单不饱和长链脂肪酸甘油酯和（b）1,3-二饱和长链脂肪酸2-单不饱和长链脂肪酸甘油酯组成，其通过X射线衍射的长间距值为65Å或更大，并且包含该分子间化合物的食品。该分子间化合物可用作构成食品的脂肪和油的一部分。由于形成了分子间化合物，含有大量对称三酸甘油酯（如可可脂）和含有中链脂肪酸的脂肪和油不会形成分离的晶体，因此可以保持平滑的质地并防止开花。
• Compositions and Methods for Making and Modifying Oils
  申请人：Lam David

  公开号：US20080305531A1

  公开（公告）日：2008-12-11

  The invention provides novel methods for making or modifying oils, e.g., plant, animal or microbial oils, such as vegetable oils or related compounds, that are low in a particular fatty acid(s), for example, low linoleic oils, low linolenic oils, low palmitic oils, low stearic oils or oils low in a combination thereof.

  该发明提供了制备或修改油脂的新方法，例如植物、动物或微生物油脂，如低亚油酸油、低亚麻酸油、低棕榈酸油、低硬脂酸油或低上述组合油的植物油或相关化合物。

表征谱图