Showing RIpred-Card for 1beta-Hydroxycholic acid,4TBDMS,isomer#1 (RI00017462)

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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 IDRI00017462
Compound Identification
Common Name1beta-Hydroxycholic acid,4TBDMS,isomer#1
Structure
Average Molecular Weight880.6284
SMILESC[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C(C)(C)C)[C@@]21C)[C@]1(C)[C@@H](C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O)C[C@H]3O[Si](C)(C)C(C)(C)C
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index4216.6904
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices