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Chemical structure of (±)9-HODE cholesteryl ester

GC41666

(±)9-HODE cholesteryl ester

Also known as [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] 9-hydroxyoctadeca-10,12-dienoate

(±)9-HODE cholesteryl ester was originally extracted from atherosclerotic lesions and shown to be produced by Cu2+-catalyzed oxidation of LDL

ChemicalCAS33783-76-5MW665.1FormulaC45H76O3
CAS number
33783-76-5
Molecular weight
665.1
Formula
C45H76O3
Solubility
DMF： >50 mg/ml,DMSO： >50 mg/ml,Ethanol： >50 mg/ml,Ethanol：PBS (1：10)： ＜10 μ g/ml
InChIKey
ALWABJCAEDQEGO-UHFFFAOYSA-N
Catalogue number
GC41666
Brand
GLPBIO
Computed properties PubChem CID 53393999 · XLogP 14.7 · TPSA 46.5 Ų · H-bond donors 1
XLogP
14.7
TPSA
46.5 Ų
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
21
Heavy atoms
48

SMILES CCCCCC=CC=CC(CCCCCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)C)O

Computed descriptors from PubChem (CID 53393999), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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