Showing RIpred-Card for 3a,4b,12a-Trihydroxy-5b-cholanoic acid,4TMS,isomer#1 (RI00018200)

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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 IDRI00018200
Compound Identification
Common Name3a,4b,12a-Trihydroxy-5b-cholanoic acid,4TMS,isomer#1
Structure
Average Molecular Weight696.4457
SMILESC[C@@H](CCC(=O)O[Si](C)(C)C)C1CCC2C3CCC4[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)CC[C@]4(C)C3C[C@H](O[Si](C)(C)C)[C@@]21C
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index3362.91
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices