Cholesteryl octadeca-9,12-dienoate structure

Cholesteryl octadeca-9,12-dienoate

[(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] octadeca-9,12-dienoate

Also Known As: Cholesteryl linoleate|Cholesterol Linoleate|Cholesterol, linoleate|cholesteryl octadeca-9,12-dienoate|EINECS 210-065-9|3beta-Hydroxy-5-cholestene 3-linolelaidate|5-cholesten-3beta-yl 9,12-octadecadienoate|Cholest-5-en-3beta-yl (Z,Z)-octadeca-9,12-dienoate|Cholest-5-en-3-ol (3.beta.)-, (9Z,12Z)-9,12-octadecadienoate|Cholest-5-en-3-ol (3.beta.)-, 9,12-octadecadienoate, (Z,Z)-

CAS: 604-33-1
Molecular Formula C45H76O2
Molecular Weight 648.58453 g/mol
LogP 13.75
Topological Polar Surface Area 26.3 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
Rotatable Bonds 20
Exact Mass 648.58453
Heavy Atoms 47
Complexity 1019.0

Chemical Identifiers

CAS Number 604-33-1
SMILES CCCCCC=CCC=CCCCCCCCC(=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

Product Overview

Cholesteryl octadeca-9,12-dienoate (CAS 604-33-1), with molecular formula C45H76O2 and molecular weight 648.58453 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] octadeca-9,12-dienoate.

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