![TERT.-BUTYL-N-[(2S)-2-HYDROXY-1-OXO-3-[3-(2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYL)-UREIDO]-PROPYL]-PHENYLALANINATE](/api/spectrum/6ofRE18l7Mu/structure.png?h=300&w=458 "TERT.-BUTYL-N-[(2S)-2-HYDROXY-1-OXO-3-[3-(2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYL)-UREIDO]-PROPYL]-PHENYLALANINATE")
| SpectraBase Compound ID | JkTeelSQcLf |
|---|---|
| InChI | InChI=1S/C31H43N3O14/c1-16(35)43-15-23-24(44-17(2)36)25(45-18(3)37)26(46-19(4)38)28(47-23)34-30(42)32-14-22(39)27(40)33-21(29(41)48-31(5,6)7)13-20-11-9-8-10-12-20/h8-12,21-26,28,39H,13-15H2,1-7H3,(H,33,40)(H2,32,34,42)/t21-,22-,23-,24-,25+,26-,28-/m1/s1 |
| InChIKey | UVCDKKQYMNLNDL-IUXFWGHSSA-N |
| Mol Weight | 681.7 g/mol |
| Molecular Formula | C31H43N3O14 |
| Exact Mass | 681.274503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6ofRE18l7Mu |
|---|---|
| Name | TERT.-BUTYL-N-[(2S)-2-HYDROXY-1-OXO-3-[3-(2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYL)-UREIDO]-PROPYL]-PHENYLALANINATE |
| Compound Number | 8A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H43N3O14 |
| InChI | InChI=1S/C31H43N3O14/c1-16(35)43-15-23-24(44-17(2)36)25(45-18(3)37)26(46-19(4)38)28(47-23)34-30(42)32-14-22(39)27(40)33-21(29(41)48-31(5,6)7)13-20-11-9-8-10-12-20/h8-12,21-26,28,39H,13-15H2,1-7H3,(H,33,40)(H2,32,34,42)/t21-,22-,23-,24-,25+,26-,28-/m1/s1 |
| InChIKey | UVCDKKQYMNLNDL-IUXFWGHSSA-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 | 681.694 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI23596 |