| SpectraBase Compound ID | 9mtlrHMrs7O |
|---|---|
| InChI | InChI=1S/C28H47NO2/c1-19(6-11-26(31)29-16-4-5-17-29)23-9-10-24-22-8-7-20-18-21(30)12-14-27(20,2)25(22)13-15-28(23,24)3/h19-25,30H,4-18H2,1-3H3/t19?,20?,21-,22?,23?,24?,25?,27?,28?/m1/s1 |
| InChIKey | GZUYSQKYZTZUHP-WPAOREEHSA-N |
| Mol Weight | 429.7 g/mol |
| Molecular Formula | C28H47NO2 |
| Exact Mass | 429.36068 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3lIPKobCALv |
|---|---|
| Name | Pyrrolidinyllithocholylamide |
| Alternate Name(s) | (3alpha)-24-oxo-24-(1-pyrrolidinyl)cholan-3-ol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H47NO2 |
| InChI | InChI=1S/C28H47NO2/c1-19(6-11-26(31)29-16-4-5-17-29)23-9-10-24-22-8-7-20-18-21(30)12-14-27(20,2)25(22)13-15-28(23,24)3/h19-25,30H,4-18H2,1-3H3/t19?,20?,21-,22?,23?,24?,25?,27?,28?/m1/s1 |
| InChIKey | GZUYSQKYZTZUHP-WPAOREEHSA-N |
| Molecular Weight | 429.689 g/mol |
| SMILES | O[C@@]1(CCC2(C3CCC4(C(C3CCC2C1)CCC4C(CCC(N1CCCC1)=O)C)C)C)[H] |
| SPLASH | splash10-03fr-0904400000-aff6fa37e6507adaf824 |
| Source of Spectrum | O-29-335-0 |
| Wiley ID | 1381265 |