Showing RIpred-Card for 3a,4b,12a-Trihydroxy-5b-cholanoic acid,2TMS,isomer#2 (RI00018191)

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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 IDRI00018191
Compound Identification
Common Name3a,4b,12a-Trihydroxy-5b-cholanoic acid,2TMS,isomer#2
Structure
Average Molecular Weight552.3666
SMILESC[C@@H](CCC(=O)O[Si](C)(C)C)C1CCC2C3CCC4[C@@H](O)[C@H](O[Si](C)(C)C)CC[C@]4(C)C3C[C@H](O)[C@@]21C
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index3486.0098
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices