Cholesteryl Oleate

• Catalog Number: ACM303435
• Product Name: Cholesteryl Oleate
• CAS: 303-43-5
• Category: Organic & Printed Electronics
• Synonyms: 5-Cholesten-3beta-ol 3-oleate
• 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] (Z)-octadec-9-enoate
• Molecular Weight: 651.12
• Molecular Formula: C45H78O2
• Canonical SMILES: CCCCCCCCC=CCCCCCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)C
• InChI: InChI=1S/C45H78O2/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/h14-15,26,35-36,38-42H,7-13,16-25,27-34H2,1-6H3/b15-14-/t36-,38+,39+,40-,41+,42+,44+,45-/m1/s1
• InChI Key: RJECHNNFRHZQKU-RMUVNZEASA-N
• Boiling Point: 617.95 °C
• Melting Point: 44-47 °C(lit.)
• Flash Point: >230 °F
• Density: 0.9287 g/cm³
• Appearance: Solid
• Storage: -20 °C
• CNo.Chain: C18:1
• Complexity: 977
• Compound Derivative: Oleate
• Exact Mass: 650.60018173
• Isomeric SMILES: CCCCCCCC/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: 650.60018173
• Physical State: Solid
• Safety Description: S24/25
• Topological Polar Surface Area: 26.3 Ų
• WGK Germany: 3

Custom Q&A

What is the molecular formula of cholesteryl oleate?

The molecular formula of cholesteryl oleate is C45H78O2.

What is the molecular weight of cholesteryl oleate?

The molecular weight of cholesteryl oleate is 651.1 g/mol.

What is the IUPAC name of cholesteryl oleate?

The IUPAC name of cholesteryl oleate is [(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](Z)-octadec-9-enoate.

What is the InChI of cholesteryl oleate?

The InChI of cholesteryl oleate is InChI=1S/C45H78O2/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/h14-15,26,35-36,38-42H,7-13,16-25,27-34H2,1-6H3/b15-14-/t36-,38+,39+,40-,41+,42+,44+,45-/m1/s1.

What is the InChIKey of cholesteryl oleate?

The InChIKey of cholesteryl oleate is RJECHNNFRHZQKU-RMUVNZEASA-N.

What is the canonical SMILES of cholesteryl oleate?

The canonical SMILES of cholesteryl oleate is CCCCCCCCC=CCCCCCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)C.

What is the CAS number of cholesteryl oleate?

The CAS number of cholesteryl oleate is 303-43-5.

What is the UNII of cholesteryl oleate?

The UNII of cholesteryl oleate is 3DPK9KFN2M.

What is the KEGG ID of cholesteryl oleate?

The KEGG ID of cholesteryl oleate is C14641.

What is the topological polar surface area of cholesteryl oleate?

The topological polar surface area of cholesteryl oleate is 26.3Ų.