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3-O-(2'',3''-DIGALLOYL)-BETA-D-GALACTOPYRANOSIDE
SpectraBase Compound ID A1pBJs3PcBc
InChI InChI=1S/C35H28O20/c36-10-23-27(47)30(53-33(49)12-4-18(41)25(45)19(42)5-12)32(54-34(50)13-6-20(43)26(46)21(44)7-13)35(52-23)55-31-28(48)24-17(40)8-14(37)9-22(24)51-29(31)11-1-2-15(38)16(39)3-11/h1-9,23,27,30,32,35-47H,10H2/t23-,27+,30+,32-,35+/m1/s1
InChIKey SDOROZFSWAADKQ-KSDGWNODSA-N
Mol Weight 768.6 g/mol
Molecular Formula C35H28O20
Exact Mass 768.117393 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F9nvMIit3nM
Name 3-O-(2'',3''-DIGALLOYL)-BETA-D-GALACTOPYRANOSIDE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H28O20
InChI InChI=1S/C35H28O20/c36-10-23-27(47)30(53-33(49)12-4-18(41)25(45)19(42)5-12)32(54-34(50)13-6-20(43)26(46)21(44)7-13)35(52-23)55-31-28(48)24-17(40)8-14(37)9-22(24)51-29(31)11-1-2-15(38)16(39)3-11/h1-9,23,27,30,32,35-47H,10H2/t23-,27+,30+,32-,35+/m1/s1
InChIKey SDOROZFSWAADKQ-KSDGWNODSA-N
Literature Reference Author T.NISHIMURA,L.Y.WANG,K.KUSANO,S.KITANAKA
Literature Reference Citation CHEM.PHARM.BULL.,53,305(2005)
Literature Reference DOI 10.1248/cpb.53.305
Molecular Weight 768.595 g/mol
Sample ID 53908
Solvent DMSO