Record Information
Version1.0
Created at2023-04-11 00:00:00 UTC
Updated at2023-04-11 00:00:00 UTC
RI-Pred IDRI01663323
Compound Identification
Common NamePS(22:6(4Z,7Z,10Z,12E,16Z,19Z)-OH(14)/14:1(9Z))
Structure
Average Molecular Weight793.453
SMILES[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C=C/C(O)C\C=C/C\C=C/CC)(COP(O)(=O)OC[C@H](N)C(O)=O)OC(=O)CCCCCCC\C=C/CCCC
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index4744.6323
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices