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8-[(E)-4-PROP-2-EN-1-ONE]-2-(3,5-DIHYDROXYPHENYL)-3,4-DIHYDRO-2-H-2-BENZOPYRAN-5-METHOXYL-3,7-DIOL
SpectraBase Compound ID 14lyS0LaqDQ
InChI InChI=1S/C25H22O7/c1-31-22-13-20(29)23(19(28)8-7-14-5-3-2-4-6-14)25-18(22)12-21(30)24(32-25)15-9-16(26)11-17(27)10-15/h2-11,13,21,24,26-27,29-30H,12H2,1H3/b8-7+
InChIKey BARBUPBDCQNXQJ-BQYQJAHWSA-N
Mol Weight 434.44 g/mol
Molecular Formula C25H22O7
Exact Mass 434.136553 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DgA4Mbaba0g
Name 8-[(E)-4-PROP-2-EN-1-ONE]-2-(3,5-DIHYDROXYPHENYL)-3,4-DIHYDRO-2-H-2-BENZOPYRAN-5-METHOXYL-3,7-DIOL
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H22O7
InChI InChI=1S/C25H22O7/c1-31-22-13-20(29)23(19(28)8-7-14-5-3-2-4-6-14)25-18(22)12-21(30)24(32-25)15-9-16(26)11-17(27)10-15/h2-11,13,21,24,26-27,29-30H,12H2,1H3/b8-7+
InChIKey BARBUPBDCQNXQJ-BQYQJAHWSA-N
Literature Reference Author N.SHA,S.H.GUAN,Z.Q.LU,G.T.CHEN,H.L.HUANG,F.B.XIE,Q.X.YUE,X.L IU,D.A.GUO
Literature Reference Citation J.NAT.PROD.,72,799(2009)
Literature Reference DOI 10.1021/np900118z
Molecular Weight 434.445 g/mol
Sample ID 32507
Solvent DMSO-D6