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1,2,3,4,6-PENTA-O-GALLOYL-BETA-GLUCOPYRANOSIDE

View entire compound with spectra: 6 NMR

1,2,3,4,6-PENTA-O-GALLOYL-BETA-GLUCOPYRANOSIDE
SpectraBase Compound ID JnhV7qvAuhP
InChI InChI=1S/C41H32O26/c42-17-1-12(2-18(43)28(17)52)36(57)62-11-27-33(64-37(58)13-3-19(44)29(53)20(45)4-13)34(65-38(59)14-5-21(46)30(54)22(47)6-14)35(66-39(60)15-7-23(48)31(55)24(49)8-15)41(63-27)67-40(61)16-9-25(50)32(56)26(51)10-16/h1-10,27,33-35,41-56H,11H2/t27-,33-,34+,35-,41+/m1/s1
InChIKey QJYNZEYHSMRWBK-NIKIMHBISA-N
Mol Weight 940.7 g/mol
Molecular Formula C41H32O26
Exact Mass 940.118181 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5R85mlEAIFp
Name PGG;1,2,3,4,6-PENTA-O-GALLOYL-BETA-D-GLUCOPYRANOSIDE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C41H32O26
InChI InChI=1S/C41H32O26/c42-17-1-12(2-18(43)28(17)52)36(57)62-11-27-33(64-37(58)13-3-19(44)29(53)20(45)4-13)34(65-38(59)14-5-21(46)30(54)22(47)6-14)35(66-39(60)15-7-23(48)31(55)24(49)8-15)41(63-27)67-40(61)16-9-25(50)32(56)26(51)10-16/h1-10,27,33-35,41-56H,11H2/t27-,33-,34+,35-,41+/m1/s1
InChIKey QJYNZEYHSMRWBK-NIKIMHBISA-N
Literature Reference Author R.T.D.SANTOS,L.L.HIRAMOTO,J.H.G.LAGO,P.SARTORELLI,A.G.TEMPON E,E.G.PINTO,H.LORENZ
Literature Reference Citation QUIM.NOVA,35,2229(2012)
Literature Reference DOI 10.1590/s0100-40422012001100025
Molecular Weight 940.689 g/mol
Solvent CD3OD
Source File Reference UWIR12597