Showing RIpred-Card for Cortexolone,3TBDMS,isomer#2 (RI00000212)

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IdentificationPhysical propertiesReferencesXML
Record Information
Version1.0
Created at2023-04-11 00:00:00 UTC
Updated at2023-04-11 00:00:00 UTC
RI-Pred IDRI00000212
Compound Identification
Common NameCortexolone,3TBDMS,isomer#2
Structure
Average Molecular Weight688.4738
SMILESCC(C)(C)[Si](C)(C)OCC(=O)[C@@]1(O[Si](C)(C)C(C)(C)C)CC[C@H]2[C@@H]3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)[C@H]3CC[C@@]21C
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index3980.6545
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices