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3,3',4-TRO-O-METHYL-ELLAGIC-ACID-4'-O-BETA-D-XYLOPYRANOSIDE
SpectraBase Compound ID KJPjmVyB3Rp
InChI InChI=1S/C22H20O12/c1-28-10-4-7-12-13-8(21(27)33-18(12)16(10)29-2)5-11(17(30-3)19(13)34-20(7)26)32-22-15(25)14(24)9(23)6-31-22/h4-5,9,14-15,22-25H,6H2,1-3H3/t9-,14+,15-,22+/m1/s1
InChIKey QXQRDKINPINYFD-SCBIHCBJSA-N
Mol Weight 476.39 g/mol
Molecular Formula C22H20O12
Exact Mass 476.095476 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2trhybTOwi1
Name 3,3',4-TRO-O-METHYL-ELLAGIC-ACID-4'-O-BETA-D-XYLOPYRANOSIDE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H20O12
InChI InChI=1S/C22H20O12/c1-28-10-4-7-12-13-8(21(27)33-18(12)16(10)29-2)5-11(17(30-3)19(13)34-20(7)26)32-22-15(25)14(24)9(23)6-31-22/h4-5,9,14-15,22-25H,6H2,1-3H3/t9-,14+,15-,22+/m1/s1
InChIKey QXQRDKINPINYFD-SCBIHCBJSA-N
Literature Reference Author X.GAO,J.WU,W.ZOU,Y.DAI
Literature Reference Citation MOLECULES,19,5448(2014)
Literature Reference DOI 10.3390/molecules19045448
Molecular Weight 476.394 g/mol
Solvent DMSO-D6
Source File Reference UWBT14571