![N-[(2-S)-1,4-DIOXO-2-HYDROXY-2-METHYL-4-[(2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYL)-AMINO]-BUTYL]-PHENYLALANINATE-AMIDE](/api/spectrum/HnGeaPzG6kS/structure.png?h=300&w=458 "N-[(2-S)-1,4-DIOXO-2-HYDROXY-2-METHYL-4-[(2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYL)-AMINO]-BUTYL]-PHENYLALANINATE-AMIDE")
| SpectraBase Compound ID | HDr3C7EaXH7 |
|---|---|
| InChI | InChI=1S/C28H37N3O14/c1-14(32)40-13-20-22(41-15(2)33)23(42-16(3)34)24(43-17(4)35)25(44-20)31-21(36)12-28(5,39)27(38)30-19(26(37)45-29)11-18-9-7-6-8-10-18/h6-10,19-20,22-25,39H,11-13,29H2,1-5H3,(H,30,38)(H,31,36)/t19?,20-,22-,23+,24-,25-,28+/m1/s1 |
| InChIKey | KQNRPGHKUILGGZ-NIZNJIRFSA-N |
| Mol Weight | 639.6 g/mol |
| Molecular Formula | C28H37N3O14 |
| Exact Mass | 639.227553 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HnGeaPzG6kS |
|---|---|
| Name | N-[(2-S)-1,4-DIOXO-2-HYDROXY-2-METHYL-4-[(2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYL)-AMINO]-BUTYL]-PHENYLALANINATE-AMIDE |
| Compound Number | 9B/5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H37N3O14 |
| InChI | InChI=1S/C28H37N3O14/c1-14(32)40-13-20-22(41-15(2)33)23(42-16(3)34)24(43-17(4)35)25(44-20)31-21(36)12-28(5,39)27(38)30-19(26(37)45-29)11-18-9-7-6-8-10-18/h6-10,19-20,22-25,39H,11-13,29H2,1-5H3,(H,30,38)(H,31,36)/t19?,20-,22-,23+,24-,25-,28+/m1/s1 |
| InChIKey | KQNRPGHKUILGGZ-NIZNJIRFSA-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 | 639.613 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ11933 |