Showing RIpred-Card for 12a-Hydroxy-3-oxocholadienic acid (RI00019434)

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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 IDRI00019434
Compound Identification
Common Name12a-Hydroxy-3-oxocholadienic acid
Structure
Average Molecular Weight386.2457
SMILESC[C@H](CCC(O)=O)C1CCC2C3C=CC4=CC(=O)CC[C@]4(C)C3C[C@H](O)[C@]12C
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index3111.0977
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices