Showing RIpred-Card for Allolithocholic acid,1TMS,isomer#1 (RI00019384)

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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 IDRI00019384
Compound Identification
Common NameAllolithocholic acid,1TMS,isomer#1
Structure
Average Molecular Weight448.3373
SMILESC[C@@H](CCC(=O)O[Si](C)(C)C)C1CCC2C3CCC4C[C@H](O)CC[C@]4(C)C3CC[C@@]21C
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index3199.0635
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices