20:3 Cholesteryl ester

Base Information

• Chemical Name: 20:3 Cholesteryl ester
• CAS No.: 7274-08-0
• Molecular Formula: C47H78O2
• Molecular Weight: 675.12
• DSSTox Substance ID: DTXSID101188151
• Metabolomics Workbench ID: 34679
• Wikidata: Q27157695
• Mol file: 7274-08-0.mol

Synonyms:20:3 Cholesteryl ester;7274-08-0;CE(20:3);[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (8Z,11Z,14Z)-icosa-8,11,14-trienoate;CE(20:3(8Z,11Z,14Z));cholesteryl all-cis-icosa-8,11,14-trienoate;cholest-5-en-3beta-yl (8Z,11Z,14Z-eicosatrienoate);Cholesteryl Homo-?-Linolenate;Cholesteryl Homo-??-Linolenate;CHEBI:84346;DTXSID101188151;LMST01020013;AKOS040756198;Cholesteryl 8,11,14-Eicosatrienoate;cholesteryl (8Z,11Z,14Z)-eicosatrienoate;cholesteryl (8Z,11Z,14Z)-icosa-8,11,14-trienoate;Q27157695;(3beta)-Cholest-5-en-3-yl (8Z,11Z,14Z)-8,11,14-eicosatrienoate;(3beta)-cholest-5-en-3-yl (8Z,11Z,14Z)-icosa-8,11,14-trienoate

Chemical Property of 20:3 Cholesteryl ester

Chemical Property:

• XLogP3: 16.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 22
• Exact Mass: 674.60018173
• Heavy Atom Count: 49
• Complexity: 1090

Purity/Quality:

99% ^*data from raw suppliers

[(3S,10R,13R)-10,13-Dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl](8Z,11Z,14Z)-icosa-8,11,14-trienoate ^*data from reagent suppliers

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CCCCCC=CCC=CCC=CCCCCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)C
• Isomeric SMILES: CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C

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