Showing RIpred-Card for 3a,7a-Dihydroxycholanoic acid,3TMS,isomer#1 (RI00019408)

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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 IDRI00019408
Compound Identification
Common Name3a,7a-Dihydroxycholanoic acid,3TMS,isomer#1
Structure
Average Molecular Weight608.4112
SMILESC[C@H](CCC(=O)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)CC1C[C@H]3O[Si](C)(C)C
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index3240.8792
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices