Showing RIpred-Card for 1b,3a,12a-Trihydroxy-5b-cholanoic acid,2TMS,isomer#1 (RI00018131)

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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 IDRI00018131
Compound Identification
Common Name1b,3a,12a-Trihydroxy-5b-cholanoic acid,2TMS,isomer#1
Structure
Average Molecular Weight552.3666
SMILESC[C@H](CCC(=O)O[Si](C)(C)C)C1CCC2C3CCC4C[C@H](O[Si](C)(C)C)C[C@@H](O)[C@]4(C)C3C[C@H](O)[C@@]21C
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index3494.4167
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices