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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

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JYNooY5FwlA
Name 3S-amino-5-{[1S-(3S,4-dihydro-8-hydroxy-1-oxo-1H-2-benzopyran-3-yl)-3-methylbutyl]carbamoyl}-4S,5S-dihydroxyvaleric acid
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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
Instrument Name Varian CFT-20
Sadtler NMR Number 43469M
Solvent Polysol-d