Showing RIpred-Card for 3,7-Dihydroxy-12-oxocholanoic acid,3TMS,isomer#2 (RI00019876)

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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 IDRI00019876
Compound Identification
Common Name3,7-Dihydroxy-12-oxocholanoic acid,3TMS,isomer#2
Structure
Average Molecular Weight622.3905
SMILESC[C@H](CCC(=O)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O[Si](C)(C)C)CC[C@]4(C)[C@H]3C=C(O[Si](C)(C)C)[C@@]21C
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index3271.7876
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices