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Chemical structure of Cholesteryl Lignocerate

GC40041

Cholesteryl Lignocerate

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] tetracosanoate

Cholesteryl lignocerate is a cholesterol ester that has been found in human meibum

ChemicalCAS73024-96-1MW737.3FormulaC51H92O2
CAS number
73024-96-1
Molecular weight
737.3
Formula
C51H92O2
Solubility
Chloroform： 10 mg/ml
InChIKey
AMUHTLRUMQYZJF-LTRCVRFVSA-N
Catalogue number
GC40041
Brand
GLPBIO
Computed properties PubChem CID 189779 · XLogP 20.8 · TPSA 26.3 Ų · H-bond donors 0
XLogP
20.8
TPSA
26.3 Ų
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
29
Heavy atoms
53

SMILES CCCCCCCCCCCCCCCCCCCCCCCC(=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 189779), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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