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ISOTIRUMALIN;(2R,3R)-5,3'-DIHYDROXY-6-(3-METHYLBUT-2-ENYL)-7,4'-DIMETHOXY-DIHYDROFLAVONOL
SpectraBase Compound ID ESBfrXy8Yjy
InChI InChI=1S/C22H24O7/c1-11(2)5-7-13-16(28-4)10-17-18(19(13)24)20(25)21(26)22(29-17)12-6-8-15(27-3)14(23)9-12/h5-6,8-10,21-24,26H,7H2,1-4H3/t21-,22+/m0/s1
InChIKey PBPNVACBMADKSI-FCHUYYIVSA-N
Mol Weight 400.43 g/mol
Molecular Formula C22H24O7
Exact Mass 400.152203 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HLd7qBW8SQM
Name ISOTIRUMALIN;(2R,3R)-5,3'-DIHYDROXY-6-(3-METHYLBUT-2-ENYL)-7,4'-DIMETHOXY-DIHYDROFLAVONOL
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H24O7
InChI InChI=1S/C22H24O7/c1-11(2)5-7-13-16(28-4)10-17-18(19(13)24)20(25)21(26)22(29-17)12-6-8-15(27-3)14(23)9-12/h5-6,8-10,21-24,26H,7H2,1-4H3/t21-,22+/m0/s1
InChIKey PBPNVACBMADKSI-FCHUYYIVSA-N
Literature Reference Author L.T.LOBO,G.A.D.SILVA,M.FERREIRA,M.N.D.SILVA,A.S.SANTOS,A.C.A RRUDA,G.M.S.P.GUILHO
Literature Reference Citation J.BRAZ.CHEM.SOC.,20,1082(2009)
Molecular Weight 400.428 g/mol
Source File Reference UWBT6190