Showing RIpred-Card for 7a,12a-Dihydroxy-3-oxo-4-cholenoic acid (RI00021817)

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 IDRI00021817
Compound Identification
Common Name7a,12a-Dihydroxy-3-oxo-4-cholenoic acid
Structure
Average Molecular Weight404.2563
SMILES[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@H](O)CC2=CC(=O)CC[C@]12C
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index4716.4404
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices