Record Information
Version1.0
Created at2023-04-11 00:00:00 UTC
Updated at2023-04-11 00:00:00 UTC
RI-Pred IDRI01694310
Compound Identification
Common NameCatechin-(4->8)-gallocatechin,3TMS,isomer#54
Structure
Average Molecular Weight810.2559
SMILESC[Si](C)(C)OC1=CC=C([C@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(C3=C(O)C=C(O)C4=C3O[C@H](C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)[C@@H](O)C4)[C@@H]2O)C=C1O
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index7306.269
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices