Showing RIpred-Card for 7-Ketodeoxycholic acid (RI00019671)

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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 IDRI00019671
Compound Identification
Common Name7-Ketodeoxycholic acid
Structure
Average Molecular Weight406.2719
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(=O)C[C@]2([H])C[C@H](O)CC[C@]12C
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index3683.1685
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices