Record Information
Version1.0
Created at2023-04-11 00:00:00 UTC
Updated at2023-04-11 00:00:00 UTC
RI-Pred IDRI01723165
Compound Identification
Common NameApiforol sulfate,4TBDMS,isomer#1
Structure
Average Molecular Weight810.3868
SMILESCC(C)(C)[Si](C)(C)OC1=CC=C([C@@H]2CC(O[Si](C)(C)C(C)(C)C)C3=C(C=C(O[Si](C)(C)C(C)(C)C)C=C3OS(=O)(=O)O[Si](C)(C)C(C)(C)C)O2)C=C1
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index4074.8408
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices