Cholesteryl behenate
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Cholesteryl behenate
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CAS No:
61510-09-6
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Formula:
C49H88O2
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Chemical Name:
Cholesteryl behenate
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Synonyms:
Cholest-5-en-3-ol (3β)-,3-docosanoate;Cholest-5-en-3-ol (3β)-,docosanoate;Cholesterol,docosanoate;Cholesteryl behenate;Cholesteryl docosanoate;Cholesterol behenate
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CAS No:
Description
Cholesteryl behenate is a standard in electrospray ionization tandem mass spectrometry for the analysis of cholesterol and cholesteryl esters.
Cholesteryl behenate is a cholesterol ester obtained by the formal condensation of cholesterol with behenic acid. It has a role as a mouse metabolite. It derives from a docosanoic acid.
Characteristics
26.3
21.33
0.9±0.1 g/cm3
87.5-88 °C @ Solvent: Diethyl ether, Ethanol
711.0±39.0 °C at 760 mmHg
385.1±14.6 °C
1.504
302.9 Ų [M+NH4]+ [CCS Type: TIMS, Method: calibrated with 4 ions from ESI LC/MS tuning mix (Agilent)]|299.39 Ų [M+NH4]+ [CCS Type: TIMS, Method: single field calibrated]
Cholesteryl behenate Use and Manufacturing
Lipids -> Sterol Lipids [ST] -> Sterols [ST01] -> Steryl esters [ST0102]
Computed Properties
Molecular Weight:709.2
XLogP3:19.7
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:27
Exact Mass:708.67843205
Monoisotopic Mass:708.67843205
Topological Polar Surface Area:26.3
Heavy Atom Count:51
Complexity:996
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Cholesteryl 3,4-dichlorobezoate Formula
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CHOLESTERYL UNDECANOATE Formula
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