Record Information
Version1.0
Created at2023-04-11 00:00:00 UTC
Updated at2023-04-11 00:00:00 UTC
RI-Pred IDRI00018281
Compound Identification
Common Name18-Oxocortisol,1TMS,isomer#2
Structure
Average Molecular Weight448.2281
SMILESC[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C=O)[C@H]1CC[C@@]2(O)C(=O)CO[Si](C)(C)C
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index3426.7588
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices