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[[(2E)-3-[2-(3,4-DIHYDROXYPHENYL)-2,3-DIHYDRO-7-HYDROXY-4-BENZOFURANYL]-1-OXO-2-PROPENYL]-OXY]-3,4-DIHYDROXY-BENZENEPROPANOIC-ACID
SpectraBase Compound ID Coy3Xo7md1f
InChI InChI=1S/C26H22O10/c27-17-5-1-13(9-20(17)30)10-23(26(33)34)35-24(32)8-4-14-2-7-19(29)25-16(14)12-22(36-25)15-3-6-18(28)21(31)11-15/h1-9,11,22-23,27-31H,10,12H2,(H,33,34)/b8-4+/t22-,23-/m1/s1
InChIKey MZMLBTNGETYUAW-CEYISNLHSA-N
Mol Weight 494.45 g/mol
Molecular Formula C26H22O10
Exact Mass 494.121297 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5KlD9rvR0rv
Name [[(2E)-3-[2-(3,4-DIHYDROXYPHENYL)-2,3-DIHYDRO-7-HYDROXY-4-BENZOFURANYL]-1-OXO-2-PROPENYL]-OXY]-3,4-DIHYDROXY-BENZENEPROPANOIC-ACID
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H22O10
InChI InChI=1S/C26H22O10/c27-17-5-1-13(9-20(17)30)10-23(26(33)34)35-24(32)8-4-14-2-7-19(29)25-16(14)12-22(36-25)15-3-6-18(28)21(31)11-15/h1-9,11,22-23,27-31H,10,12H2,(H,33,34)/b8-4+/t22-,23-/m1/s1
InChIKey MZMLBTNGETYUAW-CEYISNLHSA-N
Literature Reference Author H.J.LEE,J.Y.CHO,J.H.MOON
Literature Reference Citation FITOTERAPIA,83,1196(2012)
Literature Reference DOI 10.1016/j.fitote.2012.06.015
Molecular Weight 494.455 g/mol
Sample ID 72026
Solvent CD3OD