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4-O-[BETA-D-TRIACETATE-XYLOPYRANOSYL]-4-O-ACETYL-3,3'-DI-O-METHYL-ELLAGIC_ACID
SpectraBase Compound ID Gfmkr01jNGN
InChI InChI=1S/C29H26O16/c1-10(30)39-16-7-14-19-20-15(28(35)44-24(19)21(16)36-5)8-17(22(37-6)25(20)45-27(14)34)43-29-26(42-13(4)33)23(41-12(3)32)18(9-38-29)40-11(2)31/h7-8,18,23,26,29H,9H2,1-6H3/t18-,23+,26-,29+/m1/s1
InChIKey ONQPWXQFTIKRMH-WGZAIXFRSA-N
Mol Weight 630.51 g/mol
Molecular Formula C29H26O16
Exact Mass 630.122085 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AkY739udjfQ
Name 4-O-[BETA-D-TRIACETATE-XYLOPYRANOSYL]-4-O-ACETYL-3,3'-DI-O-METHYL-ELLAGIC_ACID
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H26O16
InChI InChI=1S/C29H26O16/c1-10(30)39-16-7-14-19-20-15(28(35)44-24(19)21(16)36-5)8-17(22(37-6)25(20)45-27(14)34)43-29-26(42-13(4)33)23(41-12(3)32)18(9-38-29)40-11(2)31/h7-8,18,23,26,29H,9H2,1-6H3/t18-,23+,26-,29+/m1/s1
InChIKey ONQPWXQFTIKRMH-WGZAIXFRSA-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 630.516 g/mol
Solvent CDCl3
Source File Reference UWMZ25545