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MONNIERASIDE-I;ALPHA-O-[2-O-(4-HYDROXYBENZOYL)-BETA-D-GLUCOPYRANOSYL]-4-HYDROXYPHENYLETHANOL
SpectraBase Compound ID DggSwSSRRHJ
InChI InChI=1S/C21H24O9/c22-11-16-17(25)18(26)19(30-20(27)13-3-7-15(24)8-4-13)21(29-16)28-10-9-12-1-5-14(23)6-2-12/h1-8,16-19,21-26H,9-11H2/t16-,17-,18+,19-,21-/m1/s1
InChIKey GEEMIHRZTIPPGJ-GQUPQBGVSA-N
Mol Weight 420.41 g/mol
Molecular Formula C21H24O9
Exact Mass 420.142032 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HrHLA6S3hmP
Name MONNIERASIDE-I;ALPHA-O-[2-O-(4-HYDROXYBENZOYL)-BETA-D-GLUCOPYRANOSYL]-4-HYDROXYPHENYLETHANOL
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H24O9
InChI InChI=1S/C21H24O9/c22-11-16-17(25)18(26)19(30-20(27)13-3-7-15(24)8-4-13)21(29-16)28-10-9-12-1-5-14(23)6-2-12/h1-8,16-19,21-26H,9-11H2/t16-,17-,18+,19-,21-/m1/s1
InChIKey GEEMIHRZTIPPGJ-GQUPQBGVSA-N
Literature Reference Author A.K.CHAKRAVARTY,T.SARKAR,T.NAKANE,N.KAWAHARA,K.MASUDO
Literature Reference Citation CHEM.PHARM.BULL.,50,1616(2002)
Literature Reference DOI 10.1248/cpb.50.1616
Molecular Weight 420.416 g/mol
Solvent CD3OD
Source File Reference UWMS20311