Cholesteryl Palmitate

• CAS: 601-34-3
• Catalog Number: ACM601343
• Category: Organic & Printed Electronics; Cholesteryl Esters
• Molecular Weight: 625.06
• Molecular Formula: C43H76O2
• Description: Solid
• Synonyms: 5-Cholestene 3-palmitate
• 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] hexadecanoate
• Canonical SMILES: CCCCCCCCCCCCCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)C
• InChI: InChI=1S/C43H76O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-23-41(44)45-36-28-30-42(5)35(32-36)24-25-37-39-27-26-38(34(4)22-20-21-33(2)3)43(39,6)31-29-40(37)42/h24,33-34,36-40H,7-23,25-32H2,1-6H3/t34-,36+,37+,38-,39+,40+,42+,43-/m1/s1
• InChI Key: BBJQPKLGPMQWBU-JADYGXMDSA-N
• Boiling Point: 604.07 °C
• Melting Point: 74-77 °C(lit.)
• Density: 0.9299 g/cm³
• Appearance: Solid
• Storage: Sealed in dry, store in freezer, under -20 °C
• CNo.Chain: C16:0
• Complexity: 904
• Compound Derivative: Palmitate
• Covalently-Bonded Unit Count: 1
• EC Number: 210-002-5
• Exact Mass: 624.58453166
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• Heavy Atom Count: 45
• Isomeric SMILES: CCCCCCCCCCCCCCCC(=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: 624.58453166
• NSC Number: 59692
• Physical State: Powder
• Rotatable Bond Count: 21
• Topological Polar Surface Area: 26.3 Ų
• UNII: ZR4D53AD57
• XLogP3: 16.4

Custom Q&A

What is the molecular formula of cholesteryl palmitate?

The molecular formula of cholesteryl palmitate is C43H76O2.

What is the molecular weight of cholesteryl palmitate?

The molecular weight of cholesteryl palmitate is 625.1 g/mol.

What is the IUPAC name of cholesteryl palmitate?

The IUPAC name of cholesteryl palmitate 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] hexadecanoate.

What is the InChI of cholesteryl palmitate?

The InChI of cholesteryl palmitate is "InChI=1S/C43H76O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-23-41(44)45-36-28-30-42(5)35(32-36)24-25-37-39-27-26-38(34(4)22-20-21-33(2)3)43(39,6)31-29-40(37)42/h24,33-34,36-40H,7-23,25-32H2,1-6H3/t34-,36+,37+,38-,39+,40+,42+,43-/m1/s1".

What is the canonical SMILES of cholesteryl palmitate?

The canonical SMILES of cholesteryl palmitate is "CCCCCCCCCCCCCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)C".

What is the CAS number of cholesteryl palmitate?

The CAS number of cholesteryl palmitate is 601-34-3.

What is the UNII of cholesteryl palmitate?

The UNII of cholesteryl palmitate is ZR4D53AD57.

What is the Lipid Maps ID (LM_ID) of cholesteryl palmitate?

The Lipid Maps ID (LM_ID) of cholesteryl palmitate is LMST01020005.

What is the KEGG ID of cholesteryl palmitate?

The KEGG ID of cholesteryl palmitate is C11251.

What is the XLogP3-AA value of cholesteryl palmitate?

The XLogP3-AA value of cholesteryl palmitate is 16.4.