Record Information
Version1.0
Created at2023-04-11 00:00:00 UTC
Updated at2023-04-11 00:00:00 UTC
RI-Pred IDRI00000964
Compound Identification
Common Name7-Dehydrocholesterol,1TBDMS,isomer#1
Structure
Average Molecular Weight498.4257
SMILESCC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index3489.4028
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices