Showing RIpred-Card for 3a,4b,12a-Trihydroxy-5b-cholanoic acid,2TBDMS,isomer#1 (RI00018205)

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 IDRI00018205
Compound Identification
Common Name3a,4b,12a-Trihydroxy-5b-cholanoic acid,2TBDMS,isomer#1
Structure
Average Molecular Weight636.4605
SMILESC[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C1CCC2C3CCC4[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CC[C@]4(C)C3C[C@H](O)[C@@]21C
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index3893.9285
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices