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MATTUCINOL-7-O-[4'',6''-DI-O-GALLOYL]-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID GpNT9gWP9ah
InChI InChI=1S/C38H36O18/c1-14-28(44)27-20(39)12-25(16-4-6-19(51-3)7-5-16)53-34(27)15(2)33(14)56-38-32(48)31(47)35(55-37(50)18-10-23(42)30(46)24(43)11-18)26(54-38)13-52-36(49)17-8-21(40)29(45)22(41)9-17/h4-11,25-26,31-32,35,38,40-48H,12-13H2,1-3H3/t25-,26-,31-,32-,35-,38+/m0/s1
InChIKey CABURBSWUISLOV-LZCODAENSA-N
Mol Weight 780.7 g/mol
Molecular Formula C38H36O18
Exact Mass 780.190164 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4dmVPy2Gbef
Name MATTUCINOL-7-O-[4'',6''-DI-O-GALLOYL]-BETA-D-GLUCOPYRANOSIDE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H36O18
InChI InChI=1S/C38H36O18/c1-14-28(44)27-20(39)12-25(16-4-6-19(51-3)7-5-16)53-34(27)15(2)33(14)56-38-32(48)31(47)35(55-37(50)18-10-23(42)30(46)24(43)11-18)26(54-38)13-52-36(49)17-8-21(40)29(45)22(41)9-17/h4-11,25-26,31-32,35,38,40-48H,12-13H2,1-3H3/t25-,26-,31-,32-,35-,38+/m0/s1
InChIKey CABURBSWUISLOV-LZCODAENSA-N
Literature Reference Author X.C.LI,M.R.JACOB,D.S.PASCO,H.N.ELSOHLY,A.C.NIMROD,L.A.WALKER ,A.M.CLARK
Literature Reference Citation J.NAT.PROD.,64,1282(2001)
Literature Reference DOI 10.1021/np010172p
Molecular Weight 780.693 g/mol
Solvent DMSO-D6
Source File Reference UWSI2107