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7-O-[6'-O-(3'',4''-DIHYDROXYCINNAMOYL)-BETA-D-GLUCOPYRANOSYL]-8-HYDROXYCOUMARIN
SpectraBase Compound ID 3VtOunDSij
InChI InChI=1S/C24H22O12/c25-13-5-1-11(9-14(13)26)2-7-17(27)33-10-16-19(29)21(31)22(32)24(35-16)34-15-6-3-12-4-8-18(28)36-23(12)20(15)30/h1-9,16,19,21-22,24-26,29-32H,10H2/b7-2+/t16-,19-,21+,22-,24-/m0/s1
InChIKey NRXBNSBNWUANMF-GVWMNGIOSA-N
Mol Weight 502.43 g/mol
Molecular Formula C24H22O12
Exact Mass 502.111126 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2CnJTpvcLFU
Name 7-O-[6'-O-(3'',4''-DIHYDROXYCINNAMOYL)-BETA-D-GLUCOPYRANOSYL]-8-HYDROXYCOUMARIN
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H22O12
InChI InChI=1S/C24H22O12/c25-13-5-1-11(9-14(13)26)2-7-17(27)33-10-16-19(29)21(31)22(32)24(35-16)34-15-6-3-12-4-8-18(28)36-23(12)20(15)30/h1-9,16,19,21-22,24-26,29-32H,10H2/b7-2+/t16-,19-,21+,22-,24-/m0/s1
InChIKey NRXBNSBNWUANMF-GVWMNGIOSA-N
Literature Reference Author S.D.ROSA,M.MITOVA,N.HANDJIEVA,I.CALIS
Literature Reference Citation PHYTOCHEM.,59,447(2002)
Literature Reference DOI 10.1016/S0031-9422(01)00471-X
Molecular Weight 502.431 g/mol
Solvent DMSO-D6
Source File Reference UWVN2656