Showing RIpred-Card for 2b,3a,7a-Trihydroxy-5b-cholanoic acid,2TBDMS,isomer#5 (RI00020096)

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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 IDRI00020096
Compound Identification
Common Name2b,3a,7a-Trihydroxy-5b-cholanoic acid,2TBDMS,isomer#5
Structure
Average Molecular Weight636.4605
SMILESC[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)C[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C[C@H]3O[Si](C)(C)C(C)(C)C
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index3783.6282
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices