Record Information
Version1.0
Created at2023-04-11 00:00:00 UTC
Updated at2023-04-11 00:00:00 UTC
RI-Pred IDRI00018730
Compound Identification
Common Name3b,15b,17a-Trihydroxy-pregnenone,1TBDMS,isomer#1
Structure
Average Molecular Weight462.3165
SMILESCC[C@@]1(O)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2[C@@H]3CCC4CC(O)=CC(=O)[C@]4(C)[C@H]3CC[C@@]21C
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index3273.0405
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices