![N-[(2-S)-1,4-DIOXO-2-HYDROXY-4-[(2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYL)-AMINO]-BUTYL]-PHENYLALANINE_AMIDE](/api/spectrum/KWg6wbpkKMz/structure.png?h=300&w=458 "N-[(2-S)-1,4-DIOXO-2-HYDROXY-4-[(2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYL)-AMINO]-BUTYL]-PHENYLALANINE_AMIDE")
| SpectraBase Compound ID | DJxvSpsd6Do |
|---|---|
| InChI | InChI=1S/C27H35N3O14/c1-13(31)39-12-20-22(40-14(2)32)23(41-15(3)33)24(42-16(4)34)26(43-20)30-21(36)11-19(35)25(37)29-18(27(38)44-28)10-17-8-6-5-7-9-17/h5-9,18-20,22-24,26,35H,10-12,28H2,1-4H3,(H,29,37)(H,30,36)/t18?,19-,20-,22-,23+,24-,26-/m1/s1 |
| InChIKey | MRYHMJIGGGPZAS-KNOSCMDJSA-N |
| Mol Weight | 625.6 g/mol |
| Molecular Formula | C27H35N3O14 |
| Exact Mass | 625.211903 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KWg6wbpkKMz |
|---|---|
| Name | N-[(2-S)-1,4-DIOXO-2-HYDROXY-4-[(2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYL)-AMINO]-BUTYL]-PHENYLALANINE_AMIDE |
| Compound Number | 9A/6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H35N3O14 |
| InChI | InChI=1S/C27H35N3O14/c1-13(31)39-12-20-22(40-14(2)32)23(41-15(3)33)24(42-16(4)34)26(43-20)30-21(36)11-19(35)25(37)29-18(27(38)44-28)10-17-8-6-5-7-9-17/h5-9,18-20,22-24,26,35H,10-12,28H2,1-4H3,(H,29,37)(H,30,36)/t18?,19-,20-,22-,23+,24-,26-/m1/s1 |
| InChIKey | MRYHMJIGGGPZAS-KNOSCMDJSA-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 | 625.587 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ11928 |