| Record Information |
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| Version | 1.0 |
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| Created at | 2023-04-11 00:00:00 UTC |
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| Updated at | 2023-04-11 00:00:00 UTC |
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| RI-Pred ID | RI00001167 |
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|
| Compound Identification |
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| Common Name | Taurocholic acid,3TBDMS,isomer#2 |
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| Structure | |
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| Average Molecular Weight | 857.5511 |
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| SMILES | C[C@H](CCC(=O)NCCS(=O)(=O)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C(C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O[Si](C)(C)C(C)(C)C |
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|
| Physical Properties |
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| Predicted Properties | | Property | Value | Reference |
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| Retention Index | 4767.827 |
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| References |
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| General References | Accurate Prediction of Gas Chromatographic Kováts Retention Indices |
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