Showing RIpred-Card for 12-Ketodeoxycholic acid,1TBDMS,isomer#2 (RI00018167)

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 IDRI00018167
Compound Identification
Common Name12-Ketodeoxycholic acid,1TBDMS,isomer#2
Structure
Average Molecular Weight504.3635
SMILESC[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index3614.2866
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices