Showing RIpred-Card for 2b,3a,7a,12a-Tetrahydroxy-5b-cholanoic acid,4TMS,isomer#3 (RI00017759)

Jump To Section:
IdentificationPhysical propertiesReferencesXML
Record Information
Version1.0
Created at2023-04-11 00:00:00 UTC
Updated at2023-04-11 00:00:00 UTC
RI-Pred IDRI00017759
Compound Identification
Common Name2b,3a,7a,12a-Tetrahydroxy-5b-cholanoic acid,4TMS,isomer#3
Structure
Average Molecular Weight712.4406
SMILESC[C@@H](CCC(=O)O[Si](C)(C)C)C1CCC2C3C(C[C@H](O)[C@@]21C)[C@@]1(C)C[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C[C@H]1C[C@H]3O[Si](C)(C)C
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index3458.5962
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices