Cholesteryl heptadecanoate

• CAS: 24365-37-5
• Catalog Number: ACM24365375
• Category: Other Products; Cholesteryl Esters
• Molecular Weight: 639.09
• Molecular Formula: C44H78O2
• Synonyms: Heptadecanoic 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] heptadecanoate
• Canonical SMILES: CCCCCCCCCCCCCCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)C
• InChI: InChI=1S/C44H78O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-42(45)46-37-29-31-43(5)36(33-37)25-26-38-40-28-27-39(35(4)23-21-22-34(2)3)44(40,6)32-30-41(38)43/h25,34-35,37-41H,7-24,26-33H2,1-6H3/t35-,37+,38+,39-,40+,41+,43+,44-/m1/s1
• InChI Key: PPQNZVDOBYGOLY-BFGJSWSOSA-N
• Boiling Point: 661.7±34.0 °C
• Melting Point: 79 °C
• Density: 0.95±0.1 g/cm³
• Appearance: Powder to crystal
• Storage: Sealed in dry, room temperature
• CNo.Chain: C17:0
• Complexity: 919
• Compound Derivative: Heptadecanoate
• Exact Mass: 638.60018173
• Isomeric SMILES: CCCCCCCCCCCCCCCCC(=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: 638.60018173
• Physical State: Powder to crystal
• Refractive Index: 1.506
• Topological Polar Surface Area: 26.3 Ų