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4-O-{6-O-[4-O-(6-O-SYRINGYLOYL-BETA-D-GLUCOPYRANOSYL)-VANILLOYL]-BETA-D-GLUCOPYRANOSYL}-2-METHOXY-PARA-HYDROXYQUINONE
SpectraBase Compound ID 21Q6KZTJ1as
InChI InChI=1S/C36H42O20/c1-47-20-12-17(6-7-18(20)37)53-35-31(43)29(41)27(39)24(55-35)13-51-33(45)15-5-8-19(21(9-15)48-2)54-36-32(44)30(42)28(40)25(56-36)14-52-34(46)16-10-22(49-3)26(38)23(11-16)50-4/h5-12,24-25,27-32,35-44H,13-14H2,1-4H3/t24-,25+,27-,28+,29+,30-,31-,32+,35-,36+/m1/s1
InChIKey OCULIFYKQDFJQQ-JSEWLCPDSA-N
Mol Weight 794.7 g/mol
Molecular Formula C36H42O20
Exact Mass 794.226944 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IBM3IOQjOY0
Name 4-O-{6-O-[4-O-(6-O-SYRINGYLOYL-BETA-D-GLUCOPYRANOSYL)-VANILLOYL]-BETA-D-GLUCOPYRANOSYL}-2-METHOXY-PARA-HYDROXYQUINONE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H42O20
InChI InChI=1S/C36H42O20/c1-47-20-12-17(6-7-18(20)37)53-35-31(43)29(41)27(39)24(55-35)13-51-33(45)15-5-8-19(21(9-15)48-2)54-36-32(44)30(42)28(40)25(56-36)14-52-34(46)16-10-22(49-3)26(38)23(11-16)50-4/h5-12,24-25,27-32,35-44H,13-14H2,1-4H3/t24-,25+,27-,28+,29+,30-,31-,32+,35-,36+/m1/s1
InChIKey OCULIFYKQDFJQQ-JSEWLCPDSA-N
Literature Reference Author Y.ZHANG,M.GAN,S.LIN,M.LIU,W.SONG,J.ZI,S.WANG,S.LI,Y.YANG,J.S HI
Literature Reference Citation J.NAT.PROD.,71,905(2008)
Literature Reference DOI 10.1021/np700758q
Molecular Weight 794.717 g/mol
Sample ID 28404
Solvent DMSO-D6