| SpectraBase Compound ID | JssfauWxjl1 |
|---|---|
| InChI | InChI=1S/C27H47NO2/c1-5-16-28-25(30)11-6-18(2)22-9-10-23-21-8-7-19-17-20(29)12-14-26(19,3)24(21)13-15-27(22,23)4/h18-24,29H,5-17H2,1-4H3,(H,28,30)/t18?,19?,20-,21?,22?,23?,24?,26?,27?/m1/s1 |
| InChIKey | QOFMNCXEVKAJIY-VSTRSASQSA-N |
| Mol Weight | 417.7 g/mol |
| Molecular Formula | C27H47NO2 |
| Exact Mass | 417.36068 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | At3Y9Cha0Ll |
|---|---|
| Name | N-(1-propyl)lithocholylamide |
| Alternate Name(s) | (3alpha)-3-hydroxy-N-propylcholan-24-amide 4-((R)-3-Hydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-pentanoic acid propylamide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H47NO2 |
| InChI | InChI=1S/C27H47NO2/c1-5-16-28-25(30)11-6-18(2)22-9-10-23-21-8-7-19-17-20(29)12-14-26(19,3)24(21)13-15-27(22,23)4/h18-24,29H,5-17H2,1-4H3,(H,28,30)/t18?,19?,20-,21?,22?,23?,24?,26?,27?/m1/s1 |
| InChIKey | QOFMNCXEVKAJIY-VSTRSASQSA-N |
| Molecular Weight | 417.678 g/mol |
| SMILES | O[C@@]1(CCC2(C(CCC3C4C(C(C(CCC(=O)NCCC)C)CC4)(CCC23)C)C1)C)[H] |
| SPLASH | splash10-0w29-0901000000-a611609ccf1f411c7075 |
| Source of Spectrum | O-29-335-0 |
| Wiley ID | 1376918 |