![TERT.-BUTYL-N-[(2S)-2-HYDROXY-1-OXO-3-[3-(BETA-D-GLUCOPYRANOSYL)-UREIDO]-PROPYL]-PHENYLALANINATE](/api/spectrum/JRXlINZS5Qg/structure.png?h=300&w=458 "TERT.-BUTYL-N-[(2S)-2-HYDROXY-1-OXO-3-[3-(BETA-D-GLUCOPYRANOSYL)-UREIDO]-PROPYL]-PHENYLALANINATE")
| SpectraBase Compound ID | 5vELuv3sOAb |
|---|---|
| InChI | InChI=1S/C23H35N3O10/c1-23(2,3)36-21(33)13(9-12-7-5-4-6-8-12)25-19(32)14(28)10-24-22(34)26-20-18(31)17(30)16(29)15(11-27)35-20/h4-8,13-18,20,27-31H,9-11H2,1-3H3,(H,25,32)(H2,24,26,34)/t13-,14-,15-,16-,17+,18-,20-/m0/s1 |
| InChIKey | PESXJRFURBQHOP-HRQNRUDASA-N |
| Mol Weight | 513.5 g/mol |
| Molecular Formula | C23H35N3O10 |
| Exact Mass | 513.232244 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JRXlINZS5Qg |
|---|---|
| Name | TERT.-BUTYL-N-[(2S)-2-HYDROXY-1-OXO-3-[3-(BETA-D-GLUCOPYRANOSYL)-UREIDO]-PROPYL]-PHENYLALANINATE |
| Compound Number | 9A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C23H35N3O10 |
| InChI | InChI=1S/C23H35N3O10/c1-23(2,3)36-21(33)13(9-12-7-5-4-6-8-12)25-19(32)14(28)10-24-22(34)26-20-18(31)17(30)16(29)15(11-27)35-20/h4-8,13-18,20,27-31H,9-11H2,1-3H3,(H,25,32)(H2,24,26,34)/t13-,14-,15-,16-,17+,18-,20-/m0/s1 |
| InChIKey | PESXJRFURBQHOP-HRQNRUDASA-N |
| Literature Reference Author | C.BOETTCHER,J.SPENGLER,L.HENNIG,F.ALBERICIO,K.BURGER |
| Literature Reference Citation | MH.CHEM.,136,577(2005) |
| Literature Reference DOI | 10.1007/s00706-004-0248-9 |
| Molecular Weight | 513.545 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWSI23602 |