| SpectraBase Compound ID | LfXMJZq85s8 |
|---|---|
| InChI | InChI=1S/C31H47NO2/c1-21(9-14-29(34)32-20-22-7-5-4-6-8-22)26-12-13-27-25-11-10-23-19-24(33)15-17-30(23,2)28(25)16-18-31(26,27)3/h4-8,21,23-28,33H,9-20H2,1-3H3,(H,32,34)/t21-,23?,24-,25+,26-,27+,28+,30+,31-/m1/s1 |
| InChIKey | AIZTXYJMJLTZNO-QSOGBMCXSA-N |
| Mol Weight | 465.7 g/mol |
| Molecular Formula | C31H47NO2 |
| Exact Mass | 465.36068 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | ArZ6wsP10l6 |
|---|---|
| Name | lithocholic acid N-benzylamide |
| Alternate Name(s) | (3alpha)-N-benzyl-3-hydroxycholan-24-amide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H47NO2 |
| InChI | InChI=1S/C31H47NO2/c1-21(9-14-29(34)32-20-22-7-5-4-6-8-22)26-12-13-27-25-11-10-23-19-24(33)15-17-30(23,2)28(25)16-18-31(26,27)3/h4-8,21,23-28,33H,9-20H2,1-3H3,(H,32,34)/t21-,23?,24-,25+,26-,27+,28+,30+,31-/m1/s1 |
| InChIKey | AIZTXYJMJLTZNO-QSOGBMCXSA-N |
| Molecular Weight | 465.722 g/mol |
| SMILES | O[C@@]1(CC[C@]2(C(CC[C@]3([C@]4([C@@]([C@@]([C@@](CCC(NCc5ccccc5)=O)(C)[H])(CC4)[H])(CC[C@]23[H])C)[H])[H])C1)C)[H] |
| SPLASH | splash10-0002-0900000000-9c08c3aeb6d879227af3 |
| Source of Spectrum | JC-562-711-0 |
| Wiley ID | 1391779 |