Cholesteryl myristate

• CAS: 1989-52-2
• Catalog Number: ACM1989522
• Category: Steroidal Compounds; Cholesteryl Esters
• Molecular Weight: 597.01
• Molecular Formula: C41H72O2
• Synonyms: (3β)-Cholest-5-en-3-yltetradecanoate
• 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] tetradecanoate
• SMILES: CCCCCCCCCCCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)C
• InChI: InChI=1S/C41H72O2/c1-7-8-9-10-11-12-13-14-15-16-17-21-39(42)43-34-26-28-40(5)33(30-34)22-23-35-37-25-24-36(32(4)20-18-19-31(2)3)41(37,6)29-27-38(35)40/h22,31-32,34-38H,7-21,23-30H2,1-6H3/t32-,34+,35+,36-,37+,38+,40+,41-/m1/s1
• InChI Key: SJDMTGSQPOFVLR-ZPQCIJQQSA-N
• Boiling Point: 589.77 °C
• Melting Point: 84 °C
• Flash Point: 334.8 °C
• Density: 0.9309 g/cm³
• Appearance: Solid
• Storage: Sealed in dry, 2-8 °C
• CNo Chain: C14:0
• Complexity: 873
• Compound Derivative: Myristate
• Exact Mass: 596.55323154
• Hazard Statements: Xi
• Isomeric SMILES: CCCCCCCCCCCCCC(=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: 596.55323154
• Physical State: Solid
• Refractive Index: 1.5250
• Safety Description: 26-36
• Stability: Stable under normal temperatures and pressures.
• Topological Polar Surface Area: 26.3 Ų
• WGK Germany: 3

Custom Q&A

What is the molecular formula of cholesteryl myristate?

The molecular formula of cholesteryl myristate is C41H72O2.

What is the molecular weight of cholesteryl myristate?

The molecular weight of cholesteryl myristate is 597.0 g/mol.

What is the IUPAC name of cholesteryl myristate?

The IUPAC name of cholesteryl myristate 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] tetradecanoate.

What is the InChI of cholesteryl myristate?

The InChI of cholesteryl myristate is InChI=1S/C41H72O2/c1-7-8-9-10-11-12-13-14-15-16-17-21-39(42)43-34-26-28-40(5)33(30-34)22-23-35-37-25-24-36(32(4)20-18-19-31(2)3)41(37,6)29-27-38(35)40/h22,31-32,34-38H,7-21,23-30H2,1-6H3/t32-,34+,35+,36-,37+,38+,40+,41-/m1/s1.

What is the Canonical SMILES of cholesteryl myristate?

The Canonical SMILES of cholesteryl myristate is CCCCCCCCCCCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)C.

What is the CAS number of cholesteryl myristate?

The CAS number of cholesteryl myristate is 1989-52-2.

What is the XLogP3-AA value of cholesteryl myristate?

The XLogP3-AA value of cholesteryl myristate is 15.4.

How many hydrogen bond donor counts does cholesteryl myristate have?

Cholesteryl myristate has 0 hydrogen bond donor counts.

How many rotatable bond counts does cholesteryl myristate have?

Cholesteryl myristate has 19 rotatable bond counts.

What is the topological polar surface area of cholesteryl myristate?

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