Showing RIpred-Card for 3a,6b,7a,12a-Tetrahydroxy-5b-cholanoic acid,4TMS,isomer#3 (RI00019828)

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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 IDRI00019828
Compound Identification
Common Name3a,6b,7a,12a-Tetrahydroxy-5b-cholanoic acid,4TMS,isomer#3
Structure
Average Molecular Weight712.4406
SMILESC[C@H](CCC(=O)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@@H]3[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]4C[C@H](O[Si](C)(C)C)CC[C@]4(C)[C@H]3C[C@H](O[Si](C)(C)C)[C@@]21C
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index3360.1145
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices