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Chemical structure of Cholesteryl Heptadecanoate

GC19433

Cholesteryl Heptadecanoate

Also known as [(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] heptadecanoate

Cholesteryl heptadecanoate is a cholesterol ester (CE) formed by the condensation of cholesterol with heptadecanoic acid, a C-17 saturated fatty acid that does not occur in any natural animal or vegetable fat at high concentrations

ChemicalCAS24365-37-5MW639.1FormulaC44H78O2
CAS number
24365-37-5
Molecular weight
639.1
Formula
C44H78O2
Solubility
DMF： >50 mg/ml,DMSO： >50 mg/ml,Ethanol： >50 mg/ml,Ethanol：PBS (pH 7·2) (1：10)： ＜10μ g/ml
InChIKey
PPQNZVDOBYGOLY-BFGJSWSOSA-N
Catalogue number
GC19433
Brand
GLPBIO
Computed properties PubChem CID 14077841 · XLogP 17 · TPSA 26.3 Ų · H-bond donors 0
XLogP
17
TPSA
26.3 Ų
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
22
Heavy atoms
46

SMILES CCCCCCCCCCCCCCCCC(=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

Computed descriptors from PubChem (CID 14077841), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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