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3,4,5-trihydroxybenzoic acid [(2R,3S,4S,5R,6R)-6-(cyano-phenyl-methoxy)-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl ester

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3,4,5-trihydroxybenzoic acid [(2R,3S,4S,5R,6R)-6-(cyano-phenyl-methoxy)-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl ester
SpectraBase Compound ID CGvgobG4jDG
InChI InChI=1S/C21H21NO10/c22-8-14(10-4-2-1-3-5-10)31-21-19(28)18(27)17(26)15(32-21)9-30-20(29)11-6-12(23)16(25)13(24)7-11/h1-7,14-15,17-19,21,23-28H,9H2/t14?,15-,17-,18+,19-,21-/m1/s1
InChIKey BYILEHCAHZEAIX-VRKGAULQSA-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 GxhzxLE5y6h
Name 3,4,5-trihydroxybenzoic acid [(2R,3S,4S,5R,6R)-6-(cyano-phenyl-methoxy)-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl ester
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H21NO10
InChI InChI=1S/C21H21NO10/c22-8-14(10-4-2-1-3-5-10)31-21-19(28)18(27)17(26)15(32-21)9-30-20(29)11-6-12(23)16(25)13(24)7-11/h1-7,14-15,17-19,21,23-28H,9H2/t14?,15-,17-,18+,19-,21-/m1/s1
InChIKey BYILEHCAHZEAIX-VRKGAULQSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2006)
Molecular Weight 447.398 g/mol
Source File Reference MHKO8412