Cholesteryl lignocerate

Catalog NumberBL-M001431
CAS Number73024-96-1
DescriptionCholesteryl lignocerate is a cholesterol ester that has been found in human meibum.
Structure
IUPAC Name[(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
SynonymsCholesteryl Tetracosanoate; 5-Cholesten-3-β-ol 3-tetracosanoate; Lignoceric acid cholesteryl ester; CE(24:0)
Molecular Weight737.7
Molecular FormulaC51H92O2
Purity> 99%
AppearanceSolid powder
Canonical SMILESCCCCCCCCCCCCCCCCCCCCCCCC(=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
InChIInChI=1S/C51H92O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-31-49(52)53-44-36-38-50(5)43(40-44)32-33-45-47-35-34-46(42(4)30-28-29-41(2)3)51(47,6)39-37-48(45)50/h32,41-42,44-48H,7-31,33-40H2,1-6H3/t42-,44+,45+,46-,47+,48+,50+,51-/m1/s1
InChI KeyAMUHTLRUMQYZJF-LTRCVRFVSA-N

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