Showing RIpred-Card for 3a,4b,7a-Trihydroxy-5b-cholanoic acid (RI00018004)

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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 IDRI00018004
Compound Identification
Common Name3a,4b,7a-Trihydroxy-5b-cholanoic acid
Structure
Average Molecular Weight408.2876
SMILES[H][C@@]12CCC([C@@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](O)C[C@]2([H])[C@@H](O)[C@H](O)CC[C@]12C
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index3477.5957
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices