Showing RIpred-Card for 1,3,7,12-Tetrahydroxycholan-24-oic acid,1TBDMS,isomer#2 (RI00021221)

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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 IDRI00021221
Compound Identification
Common Name1,3,7,12-Tetrahydroxycholan-24-oic acid,1TBDMS,isomer#2
Structure
Average Molecular Weight538.369
SMILESC[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(O)CC4CC(O)CC(O)[C@]4(C)[C@H]3CC(O[Si](C)(C)C(C)(C)C)[C@@]21C
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index3897.1147
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices