| SpectraBase Compound ID | 187Iu3uUJGA |
|---|---|
| InChI | InChI=1S/C26H43NO5/c1-15(4-9-23(30)27-14-24(31)32)19-7-8-20-18-6-5-16-12-17(28)10-11-25(16,2)21(18)13-22(29)26(19,20)3/h15-22,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15?,16-,17+,18?,19?,20?,21?,22-,25?,26?/m0/s1 |
| InChIKey | WVULKSPCQVQLCU-REZATHNHSA-N |
| Mol Weight | 449.6 g/mol |
| Molecular Formula | C26H43NO5 |
| Exact Mass | 449.314123 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DLkS48toXyM |
|---|---|
| Name | Glycoallodeoxycholic acid |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H43NO5 |
| InChI | InChI=1S/C26H43NO5/c1-15(4-9-23(30)27-14-24(31)32)19-7-8-20-18-6-5-16-12-17(28)10-11-25(16,2)21(18)13-22(29)26(19,20)3/h15-22,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15?,16-,17+,18?,19?,20?,21?,22-,25?,26?/m0/s1 |
| InChIKey | WVULKSPCQVQLCU-REZATHNHSA-N |
| Molecular Weight | 449.632 g/mol |
| SMILES | O[C@]1(C[C@]2(C(C3C(C4C(C(C(CCC(NCC(=O)O)=O)C)CC4)([C@](C3)(O)[H])C)CC2)(CC1)C)[H])[H] |
| SPLASH | splash10-0a4i-2690000000-71329b740f4400f0079d |
| Source of Spectrum | BS-5-77-0 |
| Synonyms | {[(3alpha,5alpha,12alpha)-3,12-dihydroxy-24-oxocholan-24-yl]amino}acetic acid |
| Wiley ID | 1387484 |