| SpectraBase Compound ID | 9hYepq0ljND |
|---|---|
| InChI | InChI=1S/C21H27BrN2O9/c1-10(26)24-17-15(30-2)7-21(20(28)29,33-19(17)18(31-3)14(27)9-25)32-16-8-23-13-5-4-11(22)6-12(13)16/h4-6,8,14-15,17-19,23,25,27H,7,9H2,1-3H3,(H,24,26)(H,28,29)/t14-,15+,17-,18-,19-,21-/m0/s1 |
| InChIKey | UTFMDCGQLGIWBB-FCCDFKFJSA-N |
| Mol Weight | 531.36 g/mol |
| Molecular Formula | C21H27BrN2O9 |
| Exact Mass | 530.089993 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 55DffY71zNG |
|---|---|
| Name | 5-BROMOINDOL-3-YL_5-ACETAMIDO-3,5-DIDEOXY-4,7-DI-O-METHYL-D-GLYCERO-D-GALACTO-NONULO-PYRANOSIDONIC_ACID |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H27BrN2O9 |
| InChI | InChI=1S/C21H27BrN2O9/c1-10(26)24-17-15(30-2)7-21(20(28)29,33-19(17)18(31-3)14(27)9-25)32-16-8-23-13-5-4-11(22)6-12(13)16/h4-6,8,14-15,17-19,23,25,27H,7,9H2,1-3H3,(H,24,26)(H,28,29)/t14-,15+,17-,18-,19-,21-/m0/s1 |
| InChIKey | UTFMDCGQLGIWBB-FCCDFKFJSA-N |
| Literature Reference Author | A.LIAV,J.A.HANSJERGEN,K.E.ACHYUTHAN,C.D.SHIMASAKI |
| Literature Reference Citation | CARBOHYDR.RES.,317,198(1999) |
| Literature Reference DOI | 10.1016/S0008-6215(99)00058-0 |
| Molecular Weight | 531.357 g/mol |
| Solvent | D2O |
| Source File Reference | UWMZ4713 |