Showing RIpred-Card for 2b,3a,7a,12a-Tetrahydroxy-5b-cholanoic acid (RI00017793)

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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 IDRI00017793
Compound Identification
Common Name2b,3a,7a,12a-Tetrahydroxy-5b-cholanoic acid
Structure
Average Molecular Weight424.2825
SMILES[H][C@@]12C[C@H](O)[C@@H](O)C[C@]1(C)C1C[C@H](O)[C@]3(C)C(CCC3C1[C@H](O)C2)[C@@H](C)CCC(O)=O
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index4206.2495
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices