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2-(2,4-DIHYDROXYPHENYL)-ACETONITRILE-2-O-BETA-D-GLUCOPYRANOSIDE-3',6'-O-DIGALLATE
SpectraBase Compound ID D0Va9KPwGGf
InChI InChI=1S/C28H25NO15/c29-4-3-11-1-2-14(30)9-19(11)42-28-24(38)25(44-27(40)13-7-17(33)22(36)18(34)8-13)23(37)20(43-28)10-41-26(39)12-5-15(31)21(35)16(32)6-12/h1-2,5-9,20,23-25,28,30-38H,3,10H2/t20-,23-,24-,25+,28-/m1/s1
InChIKey VTJMJPOSVUKIFW-GWDITCTRSA-N
Mol Weight 615.5 g/mol
Molecular Formula C28H25NO15
Exact Mass 615.122419 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KGKuiuK7Rqv
Name 2-(2,4-DIHYDROXYPHENYL)-ACETONITRILE-2-O-BETA-D-GLUCOPYRANOSIDE-3',6'-O-DIGALLATE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H25NO15
InChI InChI=1S/C28H25NO15/c29-4-3-11-1-2-14(30)9-19(11)42-28-24(38)25(44-27(40)13-7-17(33)22(36)18(34)8-13)23(37)20(43-28)10-41-26(39)12-5-15(31)21(35)16(32)6-12/h1-2,5-9,20,23-25,28,30-38H,3,10H2/t20-,23-,24-,25+,28-/m1/s1
InChIKey VTJMJPOSVUKIFW-GWDITCTRSA-N
Literature Reference Author Y.YAMASHITA-HIGUCHI,S.SUGIMOTO,K.MATSUNAMI,M.INAGAKI,H.OTSUK A,Y.TAKEDA
Literature Reference Citation CHEM.PHARM.BULL.,63,49(2015)
Literature Reference DOI 10.1248/cpb.c14-00638
Molecular Weight 615.504 g/mol
Solvent CD3OD
Source File Reference UWPA10014