Cholesteryl arachidonate structure

Cholesteryl arachidonate

[(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] icosa-5,8,11,14-tetraenoate

Also Known As: Cholesteryl arachidonate

CAS: 604-34-2
Molecular Formula C47H76O2
Molecular Weight 672.58453 g/mol
LogP 15.6
Topological Polar Surface Area 26.3 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
Rotatable Bonds 21
Exact Mass 672.58453
Monoisotopic Mass 672.58453
Heavy Atoms 49
Complexity 1140.0

Chemical Identifiers

CAS Number 604-34-2
SMILES CCCCCC=CCC=CCC=CCC=CCCCC(=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
InChIKey IMXSFYNMSOULQS-JREUTYQLSA-N

Product Overview

Cholesteryl arachidonate (CAS 604-34-2), with molecular formula C47H76O2 and molecular weight 672.58453 g/mol. IUPAC: [(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] icosa-5,8,11,14-tetraenoate.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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