Showing RIpred-Card for 7-Hydroxy-3-oxocholanoic acid,1TMS,isomer#3 (RI00022278)

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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 IDRI00022278
Compound Identification
Common Name7-Hydroxy-3-oxocholanoic acid,1TMS,isomer#3
Structure
Average Molecular Weight462.3165
SMILESC[C@H](CCC(=O)O)C1CC[C@H]2[C@@H]3[C@@H](O)C[C@H]4CC(O[Si](C)(C)C)=CC[C@]4(C)[C@H]3CC[C@]12C
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index3402.2622
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices