Showing RIpred-Card for 3,7-Dihydroxy-12-oxocholanoic acid (RI00019897)

Jump To Section:
IdentificationPhysical propertiesReferencesXML
Record Information
Version1.0
Created at2023-04-11 00:00:00 UTC
Updated at2023-04-11 00:00:00 UTC
RI-Pred IDRI00019897
Compound Identification
Common Name3,7-Dihydroxy-12-oxocholanoic acid
Structure
Average Molecular Weight406.2719
SMILES[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)C(=O)C[C@@]1([H])[C@@]2([H])[C@H](O)C[C@]2([H])C[C@H](O)CC[C@]12C
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index3649.5027
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices