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1-O-[2-(3-HYDROXYMETHYL-2-METHYLPHENYL)-AMINOBENZOYL]-BETA-D-GLUCOPYRANURONIC-ACID
SpectraBase Compound ID 8CUvYwJhwkx
InChI InChI=1S/C21H23NO9/c1-10-11(9-23)5-4-8-13(10)22-14-7-3-2-6-12(14)20(29)31-21-17(26)15(24)16(25)18(30-21)19(27)28/h2-8,15-18,21-26H,9H2,1H3,(H,27,28)/t15-,16-,17+,18-,21-/m1/s1
InChIKey GQQNPPRHZMQONU-ZIKOTGLESA-N
Mol Weight 433.41 g/mol
Molecular Formula C21H23NO9
Exact Mass 433.137281 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JzdJy6VYyqb
Name 1-O-[2-(3-HYDROXYMETHYL-2-METHYLPHENYL)-AMINOBENZOYL]-BETA-D-GLUCOPYRANURONIC-ACID
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H23NO9
InChI InChI=1S/C21H23NO9/c1-10-11(9-23)5-4-8-13(10)22-14-7-3-2-6-12(14)20(29)31-21-17(26)15(24)16(25)18(30-21)19(27)28/h2-8,15-18,21-26H,9H2,1H3,(H,27,28)/t15-,16-,17+,18-,21-/m1/s1
InChIKey GQQNPPRHZMQONU-ZIKOTGLESA-N
Literature Reference Author J.SATO,Y.YAMANE,K.ITO,H.BANDO
Literature Reference Citation BIOL.PHARM.BULL.,16,811(1993)
Literature Reference DOI 10.1248/bpb.16.811
Molecular Weight 433.415 g/mol
Source File Reference UWIR6625