| Record Information |
|---|
| Version | 1.0 |
|---|
| Created at | 2023-04-11 00:00:00 UTC |
|---|
| Updated at | 2023-04-11 00:00:00 UTC |
|---|
| RI-Pred ID | RI00017432 |
|---|
|
| Compound Identification |
|---|
| Common Name | 1beta-Hydroxycholic acid,4TMS,isomer#2 |
|---|
| Structure | |
|---|
| Average Molecular Weight | 712.4406 |
|---|
| SMILES | C[C@H](CCC(=O)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C)[C@@]21C)[C@]1(C)[C@@H](C[C@H](O)C[C@H]1O[Si](C)(C)C)C[C@H]3O[Si](C)(C)C |
|---|
|
| Physical Properties |
|---|
| Predicted Properties | | Property | Value | Reference |
|---|
| Retention Index | 3388.476 |
|
|---|
|
| References |
|---|
| General References | Accurate Prediction of Gas Chromatographic Kováts Retention Indices |
|---|
