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4-O-[BETA-D-GLUCOPYRANOSYL-TETRAACETATE]-3,3',4'-TRI-O-METHYLELLAGIC_ACID
SpectraBase Compound ID AVumWIk4pRp
InChI InChI=1S/C31H30O17/c1-11(32)41-10-19-24(42-12(2)33)27(43-13(3)34)28(44-14(4)35)31(46-19)45-18-9-16-21-20-15(29(36)48-26(21)23(18)40-7)8-17(38-5)22(39-6)25(20)47-30(16)37/h8-9,19,24,27-28,31H,10H2,1-7H3/t19-,24-,27+,28-,31-/m1/s1
InChIKey NWKHHNCJEDCTDS-MUIZTPTPSA-N
Mol Weight 674.56 g/mol
Molecular Formula C31H30O17
Exact Mass 674.148299 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6Jmih2PnjCo
Name 4-O-[BETA-D-GLUCOPYRANOSYL-TETRAACETATE]-3,3',4'-TRI-O-METHYLELLAGIC_ACID
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H30O17
InChI InChI=1S/C31H30O17/c1-11(32)41-10-19-24(42-12(2)33)27(43-13(3)34)28(44-14(4)35)31(46-19)45-18-9-16-21-20-15(29(36)48-26(21)23(18)40-7)8-17(38-5)22(39-6)25(20)47-30(16)37/h8-9,19,24,27-28,31H,10H2,1-7H3/t19-,24-,27+,28-,31-/m1/s1
InChIKey NWKHHNCJEDCTDS-MUIZTPTPSA-N
Literature Reference Author D.D.KHAC,S.TRAN-VAN,A.M.CAMPOS,J.Y.LALLEMAND,M.FETIZON
Literature Reference Citation PHYTOCHEM.,29,251(1990)
Literature Reference DOI 10.1016/0031-9422(90)89044-A
Molecular Weight 674.569 g/mol
Solvent CDCl3
Source File Reference UWMZ25546