Showing RIpred-Card for 3a,4b,7a-Trihydroxy-5b-cholanoic acid,4TBDMS,isomer#1 (RI00018002)

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 IDRI00018002
Compound Identification
Common Name3a,4b,7a-Trihydroxy-5b-cholanoic acid,4TBDMS,isomer#1
Structure
Average Molecular Weight864.6335
SMILESC[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1C[C@H]3O[Si](C)(C)C(C)(C)C
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index4122.097
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices