2-(2'-Hydroxytetracosanoylamino)-octadecane-1,3,4-triol

Catalog NumberBL-M001086
CAS Number154801-30-6
Description2-(2'-Hydroxytetracosanoylamino)-
octadecane-1,3,4-triol isolated from the fruits of Evodia rutaecarpa.
IUPAC Name(2R)-2-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]tetracosanamide
SynonymsElasticamide; 2-Hydroxy-N-(1,3,4-trihydroxyoctadecan-2-yl)tetracosanamide; N-(2'-(R)-hydroxytetracosanoyl) 4-hydroxysphinganine; N-24:0(2R-OH) Phytosphingosine
Molecular Weight684.13
Molecular FormulaC42H85NO5
Boiling Point799.3±60.0 °C(Predicted)
Melting Point140-142 °C
Purity>99%
Density0.951±0.06 g/cm3(Predicted)
AppearancePowder
Shelf Life1 Year
StorageStore at -20°C
Percent CompositionC 73.74%, H 12.52%, N 2.05%, O 11.69%
Canonical SMILESCCCCCCCCCCCCCCCCCCCCCCC(C(=O)NC(CO)C(C(CCCCCCCCCCCCCC)O)O)O
InChIInChI=1S/C42H85NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-40(46)42(48)43-38(37-44)41(47)39(45)35-33-31-29-27-25-16-14-12-10-8-6-4-2/h38-41,44-47H,3-37H2,1-2H3,(H,43,48)/t38-,39+,40+,41-/m0/s1
InChI KeyZFUXWVVVWGWGPQ-QLLOZFISSA-N

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