Showing RIpred-Card for Cortexolone,3TBDMS,isomer#3 (RI00000201)

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 IDRI00000201
Compound Identification
Common NameCortexolone,3TBDMS,isomer#3
Structure
Average Molecular Weight688.4738
SMILESCC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1)CC[C@H]1[C@@H]3CC[C@](O[Si](C)(C)C(C)(C)C)(C(=CO)O[Si](C)(C)C(C)(C)C)[C@@]3(C)CC[C@@H]12
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index3673.6357
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices