15-Ketosteryl oleate

Base Information

• Chemical Name: 15-Ketosteryl oleate
• CAS No.: 112757-40-1
• Molecular Formula: C45H76 O3
• Molecular Weight: 665.08
• Mol file: 112757-40-1.mol

Synonyms:15-ketosteryl oleate;5alpha-cholest-8(14)-en-3beta-ol-15-one oleate ester;cholest-8(14)-en-3-yl-15-one oleate

Chemical Property of 15-Ketosteryl oleate

Chemical Property:

• Vapor Pressure: 1.5E-19mmHg at 25°C
• Boiling Point: 701.9°Cat760mmHg
• Flash Point: 276.2°C
• PSA: 43.37000
• Density: 0.98g/cm³
• LogP: 13.30020
• XLogP3: 15.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 22
• Exact Mass: 664.57944628
• Heavy Atom Count: 48
• Complexity: 1070

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCC=CCCCCCCCC(=O)OC1CCC2(C(C1)CCC3=C4C(=O)CC(C4(CCC32)C)C(C)CCCC(C)C)C
• Isomeric SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)O[C@H]1CC[C@]2([C@H](C1)CCC3=C4C(=O)C[C@@H]([C@]4(CC[C@@H]32)C)[C@H](C)CCCC(C)C)C

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