| 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 | RI00001184 |
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|
| Compound Identification |
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| Common Name | Taurocholic acid |
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| Structure | |
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| Average Molecular Weight | 515.2917 |
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| SMILES | [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(=O)NCCS(O)(=O)=O |
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| Physical Properties |
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| Predicted Properties | | Property | Value | Reference |
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| Retention Index | 4771.9604 |
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| References |
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| General References | Accurate Prediction of Gas Chromatographic Kováts Retention Indices |
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