![N-[o-(Acetyl)lithocholyl]piperidine](/api/spectrum/AzwHrfZtkHI/structure.png?h=300&w=458 "N-[o-(Acetyl)lithocholyl]piperidine")
| SpectraBase Compound ID | 7HbSzxW45Nk |
|---|---|
| InChI | InChI=1S/C31H51NO3/c1-21(8-13-29(34)32-18-6-5-7-19-32)26-11-12-27-25-10-9-23-20-24(35-22(2)33)14-16-30(23,3)28(25)15-17-31(26,27)4/h21,23-28H,5-20H2,1-4H3/t21-,23-,24-,25?,26-,27?,28?,30+,31-/m1/s1 |
| InChIKey | CIIZFNPPGXNJHO-QGZYWBLLSA-N |
| Mol Weight | 485.8 g/mol |
| Molecular Formula | C31H51NO3 |
| Exact Mass | 485.386895 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AzwHrfZtkHI |
|---|---|
| Name | N-[O-(Acetyl)lithocholyl]piperidine |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H51NO3 |
| InChI | InChI=1S/C31H51NO3/c1-21(8-13-29(34)32-18-6-5-7-19-32)26-11-12-27-25-10-9-23-20-24(35-22(2)33)14-16-30(23,3)28(25)15-17-31(26,27)4/h21,23-28H,5-20H2,1-4H3/t21-,23-,24-,25?,26-,27?,28?,30+,31-/m1/s1 |
| InChIKey | CIIZFNPPGXNJHO-QGZYWBLLSA-N |
| Molecular Weight | 485.753 g/mol |
| SMILES | [C@]12(C(C3C([C@@]4([C@](C[C@](OC(=O)C)(CC4)[H])([H])CC3)C)CC1)CC[C@@]2([C@@](CCC(N1CCCCC1)=O)(C)[H])[H])C |
| SPLASH | splash10-004l-5900000000-43606da31c7f3a0d9cb2 |
| Source of Spectrum | G-62-474-2 |
| Wiley ID | 749258 |