Record Information
Version1.0
Created at2023-04-11 00:00:00 UTC
Updated at2023-04-11 00:00:00 UTC
RI-Pred IDRI01664576
Compound Identification
Common NamePS(18:3(9,11,15)-OH(13)/18:0)
Structure
Average Molecular Weight801.5156
SMILES[H][C@@](COC(=O)CCCCCCC\C=C\C=C\C(O)C\C=C\CC)(COP(O)(=O)OC[C@H](N)C(O)=O)OC(=O)CCCCCCCCCCCCCCCCC
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index5660.527
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices