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Chemical structure of Cholesterol α-Linolenate

GC18224

Cholesterol α-Linolenate

Also known as [(3S,8S,9S,10R,13R,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] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate

Cholesterol α-linolenate is a cholesterol ester found in fatty streaks and atherosclerotic plaques isolated from human aorta

ChemicalCAS2545-22-4MW647.1FormulaC45H74O2
CAS number
2545-22-4
Molecular weight
647.1
Formula
C45H74O2
Solubility
10mg/mL in chloroform
InChIKey
FYMCIBHUFSIWCE-DSIADVRASA-N
Catalogue number
GC18224
Brand
GLPBIO
Computed properties PubChem CID 5702680 · XLogP 15.2 · TPSA 26.3 Ų · H-bond donors 0
XLogP
15.2
TPSA
26.3 Ų
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
20
Heavy atoms
47

SMILES CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@@]4([C@H](CCC4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C)C)C

Computed descriptors from PubChem (CID 5702680), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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