![TERT.-BUTYL_N-{2-OXO-2-[(2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYL)-AMINO]-ETHYL}-GLYCYLPHENYLALANINATE](/api/spectrum/JVo8k9aE7lK/structure.png?h=300&w=458 "TERT.-BUTYL_N-{2-OXO-2-[(2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYL)-AMINO]-ETHYL}-GLYCYLPHENYLALANINATE")
| SpectraBase Compound ID | GAyG4OqPxS6 |
|---|---|
| InChI | InChI=1S/C31H43N3O13/c1-17(35)42-16-23-26(43-18(2)36)27(44-19(3)37)28(45-20(4)38)29(46-23)34-25(40)15-32-14-24(39)33-22(30(41)47-31(5,6)7)13-21-11-9-8-10-12-21/h8-12,22-23,26-29,32H,13-16H2,1-7H3,(H,33,39)(H,34,40)/t22?,23-,26-,27+,28-,29-/m1/s1 |
| InChIKey | AVKKYJZDUJUSDJ-HBRGCYOCSA-N |
| Mol Weight | 665.7 g/mol |
| Molecular Formula | C31H43N3O13 |
| Exact Mass | 665.279588 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JVo8k9aE7lK |
|---|---|
| Name | TERT.-BUTYL_N-{2-OXO-2-[(2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYL)-AMINO]-ETHYL}-GLYCYLPHENYLALANINATE |
| Compound Number | 7A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H43N3O13 |
| InChI | InChI=1S/C31H43N3O13/c1-17(35)42-16-23-26(43-18(2)36)27(44-19(3)37)28(45-20(4)38)29(46-23)34-25(40)15-32-14-24(39)33-22(30(41)47-31(5,6)7)13-21-11-9-8-10-12-21/h8-12,22-23,26-29,32H,13-16H2,1-7H3,(H,33,39)(H,34,40)/t22?,23-,26-,27+,28-,29-/m1/s1 |
| InChIKey | AVKKYJZDUJUSDJ-HBRGCYOCSA-N |
| Literature Reference Author | K.BURGER,C.BOETTCHER,L.HENNIG,S.A.ESSAWY |
| Literature Reference Citation | MH.CHEM.,135,865(2004) |
| Molecular Weight | 665.695 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ12028 |