Description

Cholesteryl 4-fluorobenzoate (CAS: 23838-12-2) is a high-purity sterol ester derivative designed for advanced research and industrial applications. This compound, with the molecular formula C₃₄H₄₉NO₄, is synthesized through the esterification of cholesterol with 4-fluorobenzoic acid, ensuring exceptional chemical stability and reactivity. Ideal for liquid crystal studies, pharmaceutical development, and material science, this product is rigorously tested via HPLC, NMR, and mass spectrometry to guarantee ≥98% purity. Available in crystalline or powder form, it is packaged under inert conditions to prevent degradation. Researchers value its role in probing membrane dynamics, lipid-protein interactions, and as a precursor in fluorinated steroid synthesis.

Properties

• CAS Number: 23838-12-2
• Complexity: 930
• IUPAC Name: [17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 4-nitrobenzoate
• InChI: InChI=1S/C34H49NO4/c1-22(2)7-6-8-23(3)29-15-16-30-28-14-11-25-21-27(17-19-33(25,4)31(28)18-20-34(29,30)5)39-32(36)24-9-12-26(13-10-24)35(37)38/h9-13,22-23,27-31H,6-8,14-21H2,1-5H3
• InChI Key: MCSXGHLTXBACQB-UHFFFAOYSA-N
• Exact Mass: 535.36615904
• Molecular Formula: C34H49NO4
• Molecular Weight: 535.8
• SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C5=CC=C(C=C5)[N+](=O)[O-])C)C
• Topological: 72.1
• Monoisotopic Mass: 535.36615904
• Synonyms: 23838-12-2, Cholesteryl 4-fluorobenzoate, EINECS 245-901-1, Cholesteryl-p-fluorobenzoate, (18F)CFB, Cholest-5-en-3-ol (3beta)-, 4-nitrobenzoate, Cholest-5-en-3beta-yl p-nitrobenzoate, cholest-5-en-3-yl 4-nitrobenzoate, [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] 4-nitrobenzoate, Cholesteryl 4-nitrobenzoate, Cholest-5-en-3-ol (3b)-, 4-nitrobenzoate, Cholest-5-en-3-ol (3.beta.)-, 4-nitrobenzoate, Cholest-5-en-3-ol (3beta)-, 3-(4-nitrobenzoate), DTXSID70946643, MCSXGHLTXBACQB-UHFFFAOYSA-N, STL553427, AKOS003239160, ST002798, CHOLEST-5-EN-3-BETA-YL P-NITROBENZOATE, (3S,8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl 4-nitrobenzoate, 14-(1,5-dimethylhexyl)-2,15-dimethyltetracyclo[8.7.0.0.0]heptadec- 7-en-5-yl 4-nitrobenzoate

Cholesteryl 4-fluorobenzoate is widely used in liquid crystal research due to its mesomorphic properties. It serves as a key intermediate in synthesizing fluorinated sterols for drug delivery systems. Applications extend to NMR spectroscopy as a cholesterol analog for studying lipid bilayers. Its nitro derivative is employed in radiopharmaceutical labeling (e.g., ¹⁸F-CFB). Suitable for organic electronics and photonic material development.

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