Showing RIpred-Card for 7-Ketodeoxycholic acid,2TMS,isomer#4 (RI00019631)

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 IDRI00019631
Compound Identification
Common Name7-Ketodeoxycholic acid,2TMS,isomer#4
Structure
Average Molecular Weight550.351
SMILESC[C@H](CCC(=O)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@@H]3C(O[Si](C)(C)C)=C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index3299.5745
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices