![TERT.-BUTYL-N-[(2S)-2-HYDROXY-1-OXO-3-[3-(3,4,6-TRI-O-ACETYL-2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSYL)-UREIDO]-PROPYL]-PHENYLALANINATE](/api/spectrum/4D1XbZ88IbI/structure.png?h=300&w=458 "TERT.-BUTYL-N-[(2S)-2-HYDROXY-1-OXO-3-[3-(3,4,6-TRI-O-ACETYL-2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSYL)-UREIDO]-PROPYL]-PHENYLALANINATE")
| SpectraBase Compound ID | GUbhG08vfOd |
|---|---|
| InChI | InChI=1S/C31H44N4O13/c1-16(36)33-24-26(46-19(4)39)25(45-18(3)38)23(15-44-17(2)37)47-28(24)35-30(43)32-14-22(40)27(41)34-21(29(42)48-31(5,6)7)13-20-11-9-8-10-12-20/h8-12,21-26,28,40H,13-15H2,1-7H3,(H,33,36)(H,34,41)(H2,32,35,43)/t21-,22-,23-,24-,25-,26-,28-/m1/s1 |
| InChIKey | YJRNMHHSRVTCCF-VVXQCSRHSA-N |
| Mol Weight | 680.7 g/mol |
| Molecular Formula | C31H44N4O13 |
| Exact Mass | 680.290487 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4D1XbZ88IbI |
|---|---|
| Name | TERT.-BUTYL-N-[(2S)-2-HYDROXY-1-OXO-3-[3-(3,4,6-TRI-O-ACETYL-2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSYL)-UREIDO]-PROPYL]-PHENYLALANINATE |
| Compound Number | 8C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H44N4O13 |
| InChI | InChI=1S/C31H44N4O13/c1-16(36)33-24-26(46-19(4)39)25(45-18(3)38)23(15-44-17(2)37)47-28(24)35-30(43)32-14-22(40)27(41)34-21(29(42)48-31(5,6)7)13-20-11-9-8-10-12-20/h8-12,21-26,28,40H,13-15H2,1-7H3,(H,33,36)(H,34,41)(H2,32,35,43)/t21-,22-,23-,24-,25-,26-,28-/m1/s1 |
| InChIKey | YJRNMHHSRVTCCF-VVXQCSRHSA-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 | 680.709 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWSI23598 |