![TERT.-BUTYL_N-[(2-S)-1,4-DIOXO-2-HYDROXY-4-[(2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYL)-AMINO]-BUTYL]-PHENYLALANINATE](/api/spectrum/82m9Oi1vZhJ/structure.png?h=300&w=458 "TERT.-BUTYL_N-[(2-S)-1,4-DIOXO-2-HYDROXY-4-[(2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYL)-AMINO]-BUTYL]-PHENYLALANINATE")
| SpectraBase Compound ID | H5NXKxzFuyS |
|---|---|
| InChI | InChI=1S/C31H42N2O14/c1-16(34)42-15-23-25(43-17(2)35)26(44-18(3)36)27(45-19(4)37)29(46-23)33-24(39)14-22(38)28(40)32-21(30(41)47-31(5,6)7)13-20-11-9-8-10-12-20/h8-12,21-23,25-27,29,38H,13-15H2,1-7H3,(H,32,40)(H,33,39)/t21?,22-,23-,25-,26+,27-,29-/m1/s1 |
| InChIKey | WRVXUXNSTILUKZ-LZLFGGGHSA-N |
| Mol Weight | 666.7 g/mol |
| Molecular Formula | C31H42N2O14 |
| Exact Mass | 666.263604 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 82m9Oi1vZhJ |
|---|---|
| Name | TERT.-BUTYL_N-[(2-S)-1,4-DIOXO-2-HYDROXY-4-[(2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYL)-AMINO]-BUTYL]-PHENYLALANINATE |
| Compound Number | 9A/4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H42N2O14 |
| InChI | InChI=1S/C31H42N2O14/c1-16(34)42-15-23-25(43-17(2)35)26(44-18(3)36)27(45-19(4)37)29(46-23)33-24(39)14-22(38)28(40)32-21(30(41)47-31(5,6)7)13-20-11-9-8-10-12-20/h8-12,21-23,25-27,29,38H,13-15H2,1-7H3,(H,32,40)(H,33,39)/t21?,22-,23-,25-,26+,27-,29-/m1/s1 |
| InChIKey | WRVXUXNSTILUKZ-LZLFGGGHSA-N |
| Literature Reference Author | C.BOETTCHER,J.SPENGLER,K.BURGER |
| Literature Reference Citation | MH.CHEM.,135,1225(2004) |
| Literature Reference DOI | 10.1007/s00706-004-0187-5 |
| Molecular Weight | 666.679 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ11926 |