Showing RIpred-Card for Nutriacholic acid,3TBDMS,isomer#1 (RI00022489)

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 IDRI00022489
Compound Identification
Common NameNutriacholic acid,3TBDMS,isomer#1
Structure
Average Molecular Weight732.5364
SMILESC[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C1CC[C@H]2C3=C(O[Si](C)(C)C(C)(C)C)C[C@@H]4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@]12C
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index3935.605
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices