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6''-O-ACETYL-5-O-BETA-D-GALACTOPYRANOSYL-7,3',4'-TRIHYDROXY-4-PHENYLCOUMARIN
SpectraBase Compound ID CQsIzQ0izCP
InChI InChI=1S/C23H22O12/c1-9(24)32-8-17-20(29)21(30)22(31)23(35-17)34-16-6-11(25)5-15-19(16)12(7-18(28)33-15)10-2-3-13(26)14(27)4-10/h2-7,17,20-23,25-27,29-31H,8H2,1H3/t17-,20+,21+,22-,23-/m0/s1
InChIKey YHQLUSZEFHCADG-GEFFGTOZSA-N
Mol Weight 490.42 g/mol
Molecular Formula C23H22O12
Exact Mass 490.111126 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ITbfgaP8poS
Name 6''-O-ACETYL-5-O-BETA-D-GALACTOPYRANOSYL-7,3',4'-TRIHYDROXY-4-PHENYLCOUMARIN
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H22O12
InChI InChI=1S/C23H22O12/c1-9(24)32-8-17-20(29)21(30)22(31)23(35-17)34-16-6-11(25)5-15-19(16)12(7-18(28)33-15)10-2-3-13(26)14(27)4-10/h2-7,17,20-23,25-27,29-31H,8H2,1H3/t17-,20+,21+,22-,23-/m0/s1
InChIKey YHQLUSZEFHCADG-GEFFGTOZSA-N
Literature Reference Author S.CHRISTIANS,J.A.GUERRERO-ANALCO,A.PEREZ-VASQUEZ,F.PALACIOS- ESPINOSA,C.CIANGHERO
Literature Reference Citation J.NAT.PROD.,72,408(2009)
Literature Reference DOI 10.1021/np800642d
Molecular Weight 490.420 g/mol
Sample ID 32265
Solvent CD3OD