John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=2CGZD7CEXeU SpectraBase Spectrum ID=1IJru2OjFxb

(accessed ).
ELLAGIC-ACID-4-O-BETA-D-XYLOPYRANOSIDE-3,3'-DIMETHYLETHER
SpectraBase Compound ID 2CGZD7CEXeU
InChI InChI=1S/C21H18O12/c1-28-15-8(22)3-6-11-12-7(20(27)32-17(11)15)4-10(16(29-2)18(12)33-19(6)26)31-21-14(25)13(24)9(23)5-30-21/h3-4,9,13-14,21-25H,5H2,1-2H3/t9-,13+,14-,21+/m1/s1
InChIKey UDWUZPSSUIWBKB-LAPUEANGSA-N
Mol Weight 462.36 g/mol
Molecular Formula C21H18O12
Exact Mass 462.079826 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1IJru2OjFxb
Name ELLAGIC-ACID-4-O-BETA-D-XYLOPYRANOSIDE-3,3'-DIMETHYLETHER
Compound Number 3
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H18O12
InChI InChI=1S/C21H18O12/c1-28-15-8(22)3-6-11-12-7(20(27)32-17(11)15)4-10(16(29-2)18(12)33-19(6)26)31-21-14(25)13(24)9(23)5-30-21/h3-4,9,13-14,21-25H,5H2,1-2H3/t9-,13+,14-,21+/m1/s1
InChIKey UDWUZPSSUIWBKB-LAPUEANGSA-N
Literature Reference Author P.CASTANEDA,A.BAHENA,E.GARCIA,D.CHAVEZ,R.MATA,A.GUTIERREZ
Literature Reference Citation J.NAT.PROD.,56,1575(1993)
Literature Reference DOI 10.1021/np50099a017
Molecular Weight 462.367 g/mol
Solvent PYRIDINE-D5
Source File Reference UWCS17950
SpectraBase Batch ID 6uWcxA4JYBm