Showing RIpred-Card for 7-Hydroxy-3-oxocholanoic acid (RI00022300)

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IdentificationPhysical propertiesReferencesXML
Record Information
Version1.0
Created at2023-04-11 00:00:00 UTC
Updated at2023-04-11 00:00:00 UTC
RI-Pred IDRI00022300
Compound Identification
Common Name7-Hydroxy-3-oxocholanoic 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@@H](O)C[C@@]2([H])CC(=O)CC[C@]12C
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index3484.8513
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices