![3S-amino-5-{[1S-(3S,4-dihydro-8-hydroxy-1-oxo-1H-2-benzopyran-3-yl)-3-methylbutyl]carbamoyl}-4S,5S-dihydroxyvaleric acid](/api/spectrum/JkWsZljT6vv/structure.png?h=300&w=458 "3S-amino-5-{[1S-(3S,4-dihydro-8-hydroxy-1-oxo-1H-2-benzopyran-3-yl)-3-methylbutyl]carbamoyl}-4S,5S-dihydroxyvaleric acid")
| SpectraBase Compound ID | 1D8Nme0R3se |
|---|---|
| InChI | InChI=1S/C20H28N2O8/c1-9(2)6-12(22-19(28)18(27)17(26)11(21)8-15(24)25)14-7-10-4-3-5-13(23)16(10)20(29)30-14/h3-5,9,11-12,14,17-18,23,26-27H,6-8,21H2,1-2H3,(H,22,28)(H,24,25)/t11-,12-,14-,17-,18-/m0/s1 |
| InChIKey | LOXFXXGTOVWWQV-YKRRISCLSA-N |
| Mol Weight | 424.45 g/mol |
| Molecular Formula | C20H28N2O8 |
| Exact Mass | 424.184566 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JkWsZljT6vv |
|---|---|
| Name | [4-AMINO-4,5-DIDEOXY-N-((1'S)-1'-[(3''S)-3'',4''-DIHYDRO-8''-HYDROXY-1''-OXO-1''H-2''-BENZOPYRAN-3''-YL]-3'-METHYLBUTYL)-ALPHA-D-RIBOHEXAR-1-AMIC-ACID |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C20H28N2O8 |
| InChI | InChI=1S/C20H28N2O8/c1-9(2)6-12(22-19(28)18(27)17(26)11(21)8-15(24)25)14-7-10-4-3-5-13(23)16(10)20(29)30-14/h3-5,9,11-12,14,17-18,23,26-27H,6-8,21H2,1-2H3,(H,22,28)(H,24,25)/t11-,12-,14-,17-,18-/m0/s1 |
| InChIKey | LOXFXXGTOVWWQV-YKRRISCLSA-N |
| Literature Reference Author | J.M.DURGNAT,P.VOGEL |
| Literature Reference Citation | HELV.CHIM.ACTA,76,222(1993) |
| Literature Reference DOI | 10.1002/hlca.19930760116 |
| Molecular Weight | 424.451 g/mol |
| Solvent | CD3CN |
| Source File Reference | UWCS16222 |