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2-(2,4-DIHYDROXYPHENYL)-ACETONITRILE-2-O-BETA-D-GLUCOPYRANOSIDE-6'-O-GALLATE
SpectraBase Compound ID DCXJ5ifvGw
InChI InChI=1S/C21H21NO11/c22-4-3-9-1-2-11(23)7-14(9)32-21-19(29)18(28)17(27)15(33-21)8-31-20(30)10-5-12(24)16(26)13(25)6-10/h1-2,5-7,15,17-19,21,23-29H,3,8H2/t15-,17-,18+,19-,21-/m0/s1
InChIKey QLBRKVIIYGHSFO-CBHOWOPOSA-N
Mol Weight 463.4 g/mol
Molecular Formula C21H21NO11
Exact Mass 463.11146 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DglYCZZ8P4i
Name 2-(2,4-DIHYDROXYPHENYL)-ACETONITRILE-2-O-BETA-D-GLUCOPYRANOSIDE-6'-O-GALLATE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H21NO11
InChI InChI=1S/C21H21NO11/c22-4-3-9-1-2-11(23)7-14(9)32-21-19(29)18(28)17(27)15(33-21)8-31-20(30)10-5-12(24)16(26)13(25)6-10/h1-2,5-7,15,17-19,21,23-29H,3,8H2/t15-,17-,18+,19-,21-/m0/s1
InChIKey QLBRKVIIYGHSFO-CBHOWOPOSA-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 463.398 g/mol
Solvent CD3OD
Source File Reference UWPA10011