Showing RIpred-Card for 3-Oxo-5beta-cholanoic acid,1TMS,isomer#3 (RI01723947)

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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 IDRI01723947
Compound Identification
Common Name3-Oxo-5beta-cholanoic acid,1TMS,isomer#3
Structure
Average Molecular Weight446.3216
SMILESCC(CCC(=O)O)C1CCC2C3CCC4C=C(O[Si](C)(C)C)CCC4(C)C3CCC12C
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index3605.8528
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices