Record Information
Version1.0
Created at2023-04-11 00:00:00 UTC
Updated at2023-04-11 00:00:00 UTC
RI-Pred IDRI01687004
Compound Identification
Common NameEpicatechin-(4beta->8)-catechin 3-gallate,2TMS,isomer#7
Structure
Average Molecular Weight874.2324
SMILESC[Si](C)(C)OC1=CC(C(=O)O[C@H]2[C@@H](C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3[C@@H]2C2=C(O)C=C(O)C3=C2O[C@H](C2=CC=C(O)C(O)=C2)[C@@H](O[Si](C)(C)C)C3)=CC(O)=C1O
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index6754.766
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices