Cholesteryl Linoleate

• CAS: 604-33-1
• Catalog Number: ACM604331
• Category: Cholesteryl Esters
• Molecular Weight: 649.08
• Molecular Formula: C45H76O2
• Synonyms: Linoleic acid cholesterol ester
• IUPAC Name: [(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] (9Z,12Z)-octadeca-9,12-dienoate
• Canonical SMILES: CCCCCC=CCC=CCCCCCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)C
• InChI: InChI=1S/C45H76O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h11-12,14-15,26,35-36,38-42H,7-10,13,16-25,27-34H2,1-6H3/b12-11-,15-14-/t36-,38+,39+,40-,41+,42+,44+,45-/m1/s1
• InChI Key: NAACPBBQTFFYQB-LJAITQKLSA-N
• Boiling Point: 677.3±44.0 °C
• Melting Point: 41-42.5 °C
• Flash Point: 113 °C
• Density: 0.96±0.1 g/cm³
• Appearance: Powder
• Storage: -20 °C
• CNo.Chain: C18:2
• Complexity: 1020
• Compound Derivative: Linoleate
• Exact Mass: 648.58453166
• Isomeric SMILES: CCCCC/C=C\C/C=C\CCCCCCCC(=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
• Monoisotopic Mass: 648.58453166
• Physical State: Powder
• Refractive Index: 1.516
• Topological Polar Surface Area: 26.3 Ų