Record Information
Version1.0
Created at2023-04-11 00:00:00 UTC
Updated at2023-04-11 00:00:00 UTC
RI-Pred IDRI00022485
Compound Identification
Common NameNutriacholic acid
Structure
Average Molecular Weight390.277
SMILES[H][C@@]12CCC([C@@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C(=O)C[C@]2([H])C[C@H](O)CC[C@]12C
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index3295.884
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices