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1-O-[2-(3-CARBOXY-2-METHYLPHENYL)-AMINOBENZOYL]-BETA-D-GLUCOPYRANURONIC-ACID

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1-O-[2-(3-CARBOXY-2-METHYLPHENYL)-AMINOBENZOYL]-BETA-D-GLUCOPYRANURONIC-ACID
SpectraBase Compound ID JcIbk49pg8n
InChI InChI=1S/C21H21NO10/c1-9-10(18(26)27)6-4-8-12(9)22-13-7-3-2-5-11(13)20(30)32-21-16(25)14(23)15(24)17(31-21)19(28)29/h2-8,14-17,21-25H,1H3,(H,26,27)(H,28,29)/t14-,15-,16+,17-,21-/m1/s1
InChIKey QTCMFDMVQUHRND-OVNJDOEUSA-N
Mol Weight 447.4 g/mol
Molecular Formula C21H21NO10
Exact Mass 447.116546 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FzDcoczFORM
Name 1-O-[2-(3-CARBOXY-2-METHYLPHENYL)-AMINOBENZOYL]-BETA-D-GLUCOPYRANURONIC-ACID
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H21NO10
InChI InChI=1S/C21H21NO10/c1-9-10(18(26)27)6-4-8-12(9)22-13-7-3-2-5-11(13)20(30)32-21-16(25)14(23)15(24)17(31-21)19(28)29/h2-8,14-17,21-25H,1H3,(H,26,27)(H,28,29)/t14-,15-,16+,17-,21-/m1/s1
InChIKey QTCMFDMVQUHRND-OVNJDOEUSA-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 447.398 g/mol
Source File Reference UWIR6626