Record Information
Version1.0
Created at2023-04-11 00:00:00 UTC
Updated at2023-04-11 00:00:00 UTC
RI-Pred IDRI01687048
Compound Identification
Common NameEpicatechin-(4beta->8)-catechin 3-gallate,2TMS,isomer#42
Structure
Average Molecular Weight874.2324
SMILESC[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@H](C1=C(O)C=C(O)C3=C1O[C@H](C1=CC=C(O)C(O)=C1)[C@@H](O)C3)[C@@H](OC(=O)C1=CC(O)=C(O)C(O)=C1)[C@@H](C1=CC=C(O)C(O)=C1)O2
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index9615.693
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices