Showing RIpred-Card for 3a,7b,12a-Trihydroxyoxocholanyl-Glycine,2TBDMS,isomer#6 (RI00018259)

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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 IDRI00018259
Compound Identification
Common Name3a,7b,12a-Trihydroxyoxocholanyl-Glycine,2TBDMS,isomer#6
Structure
Average Molecular Weight693.482
SMILESC[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3C[C@H](O[Si](C)(C)C(C)(C)C)[C@@]21C
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index4291.321
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices