Record Information
Version1.0
Created at2023-04-11 00:00:00 UTC
Updated at2023-04-11 00:00:00 UTC
RI-Pred IDRI01687088
Compound Identification
Common Nameent-Epiafzelechin-(2alpha->7,4alpha->8)-catechin,3TMS,isomer#48
Structure
Average Molecular Weight776.2504
SMILESC[Si](C)(C)OC1=CC2=C(C3=C1C[C@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O3)C1C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@](C3=CC=C(O)C=C3)(O2)[C@H]1O[Si](C)(C)C
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index4581.3784
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices