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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

Compound with spectra: 2 NMR, 1 FTIR, and 2 UV-Vis

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
Enantiomer InChIKey LOXFXXGTOVWWQV-VQJSHYKGSA-N

View Spectrum of 3S-amino-5-{[1S-(3S,4-dihydro-8-hydroxy-1-oxo-1H-2-benzopyran-3-yl)-3-methylbutyl]carbamoyl}-4S,5S-dihydroxyvaleric acid

1H NMR Spectrum
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Solvent Polysol-d

View Spectrum of 3S-amino-5-{[1S-(3S,4-dihydro-8-hydroxy-1-oxo-1H-2-benzopyran-3-yl)-3-methylbutyl]carbamoyl}-4S,5S-dihydroxyvaleric acid

FTIR Spectrum
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Y. Shimojima, Asahi Chemical Industry Company, Ltd., Tokyo, Japan
Technique KBr WAFER

View Spectrum of 3S-amino-5-{[1S-(3S,4-dihydro-8-hydroxy-1-oxo-1H-2-benzopyran-3-yl)-3-methylbutyl]carbamoyl}-4S,5S-dihydroxyvaleric acid

UV-Vis Spectrum
Copyright Copyright © 2008-2024 John Wiley & Sons, Inc. All Rights Reserved.
Solvent Methanol

View Spectrum of 3S-amino-5-{[1S-(3S,4-dihydro-8-hydroxy-1-oxo-1H-2-benzopyran-3-yl)-3-methylbutyl]carbamoyl}-4S,5S-dihydroxyvaleric acid

UV-Vis Spectrum
Copyright Copyright © 2008-2024 John Wiley & Sons, Inc. All Rights Reserved.
Solvent Methanol

View Spectrum of 3S-amino-5-{[1S-(3S,4-dihydro-8-hydroxy-1-oxo-1H-2-benzopyran-3-yl)-3-methylbutyl]carbamoyl}-4S,5S-dihydroxyvaleric acid

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CD3CN
  • [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
  • VALERIC ACID, 3S-AMINO- 5-//1S-/3S,4-DIHYDRO-8-HYDROXY-1-OXO- 1H-2-BENZOPYRAN-3-YL/-3-METHYLBUTYL/- CARBAMOYL/-4S,5S-DIHYDROXY-,
AMICOUMACIN-B
[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-L-RIBOHEXAR-1-AMIC-ACID
6-[1S-(3S,4-Dihydro-8-hydroxy-1-oxo-1H-2-benzopyran-yl)-3-methyl-butyl]amino-4S,5S-dihydroxy-6-oxo-3S-amino-hexanoic aci
PM-94128
XENOCOUMACIN-2
WMWJPXQHLWDYFK-OASQCKGZSA-N
Methyl 2-([(8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-isochromen-7-yl)carbonyl]amino)-3-phenylpropanoate
20,21-DIHYDROCRUENTAREN-A
12,13,20,21-TETRAHYDROCRUENTAREN-A
Thunberginol C triacetate
Title Journal or Book Year
Total Synthesis of the Gastroprotective Substance AI-77-B and of Analogues Helvetica Chimica Acta 1993
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