Cholesteryl chloroacetate

• Catalog Number: ACM3464504
• Product Name: Cholesteryl chloroacetate
• CAS: 3464-50-4
• Category: Steroidal Compounds
• Synonyms: 3-BETA-HYDROXY-5-CHOLESTENE 3-CHLOROACETATE;5-CHOLESTEN-3-BETA-OL CHLOROACETATE;5-CHOLESTEN-3BETA-OL 3-MONOCHLOROACETATE;CHOLESTERYL CHLOROACETAE;CHOLESTERYL CHLOROACETATE;CHOLESTERYL MONOCHLOROACETATE;CHLORO-ACETIC ACID (3S,8S,9S,10R,13R,14S,17R)-17-((R
• IUPAC Name: [(10R,13R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-chloroacetate
• Molecular Weight: 463.14
• Molecular Formula: C₂₉H₄₇ClO₂
• Canonical SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CCl)C)C
• InChI Key: XUXXPLDKUZSGKH-JWUZAECKSA-N
• Boiling Point: 521.5ºC at 760mmHg
• Flash Point: 262.9ºC
• Density: 1.05g/cm³
• EC Number: 222-415-8
• Exact Mass: 462.32600
• H-Bond Acceptor: 2
• H-Bond Donor: 0

Custom Q&A

What is the PubChem CID for cholesteryl chloroacetate?

The PubChem CID for cholesteryl chloroacetate is 102417.

What is the molecular formula of cholesteryl chloroacetate?

The molecular formula of cholesteryl chloroacetate is C29H47ClO2.

What is the molecular weight of cholesteryl chloroacetate?

The molecular weight of cholesteryl chloroacetate is 463.1 g/mol.

What is the IUPAC Name of cholesteryl chloroacetate?

The IUPAC Name of cholesteryl chloroacetate 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] 2-chloroacetate.

What is the InChI of cholesteryl chloroacetate?

The InChI of cholesteryl chloroacetate is InChI=1S/C29H47ClO2/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(32-27(31)18-30)13-15-28(21,4)26(23)14-16-29(24,25)5/h9,19-20,22-26H,6-8,10-18H2,1-5H3/t20-,22+,23+,24-,25+,26+,28+,29-/m1/s1.

What is the InChIKey of cholesteryl chloroacetate?

The InChIKey of cholesteryl chloroacetate is XUXXPLDKUZSGKH-OHPSOFBHSA-N.

What is the canonical SMILES of cholesteryl chloroacetate?

The canonical SMILES of cholesteryl chloroacetate is CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CCl)C)C.

What is the CAS number of cholesteryl chloroacetate?

The CAS number of cholesteryl chloroacetate is 3464-50-4.

What is the European Community (EC) Number of cholesteryl chloroacetate?

The European Community (EC) Number of cholesteryl chloroacetate is 222-415-8.