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4'-O-BETA-D-(2''-P-COUMAROYL-6''-ACETYL)-GLUCOPYRANOSYL-4,2',3'-TRIHYDROXYCHALCONE
SpectraBase Compound ID H9zihsfpnVB
InChI InChI=1S/C32H30O13/c1-17(33)42-16-25-29(40)30(41)31(45-26(37)15-7-19-4-10-21(35)11-5-19)32(44-25)43-24-14-12-22(27(38)28(24)39)23(36)13-6-18-2-8-20(34)9-3-18/h2-15,25,29-32,34-35,38-41H,16H2,1H3/b13-6+,15-7+/t25-,29-,30+,31-,32-/m1/s1
InChIKey MNTAKHYEMJWPAC-SHVUDZGFSA-N
Mol Weight 622.6 g/mol
Molecular Formula C32H30O13
Exact Mass 622.168641 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bdb5qK1gC6Q
Name 4'-O-BETA-D-(2''-P-COUMAROYL-6''-ACETYL)-GLUCOPYRANOSYL-4,2',3'-TRIHYDROXYCHALCONE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H30O13
InChI InChI=1S/C32H30O13/c1-17(33)42-16-25-29(40)30(41)31(45-26(37)15-7-19-4-10-21(35)11-5-19)32(44-25)43-24-14-12-22(27(38)28(24)39)23(36)13-6-18-2-8-20(34)9-3-18/h2-15,25,29-32,34-35,38-41H,16H2,1H3/b13-6+,15-7+/t25-,29-,30+,31-,32-/m1/s1
InChIKey MNTAKHYEMJWPAC-SHVUDZGFSA-N
Literature Reference Author G.CIOFFI,L.M.ESCOBAR,A.BRACA,N.DETOMMASI
Literature Reference Citation J.NAT.PROD.,66,1061(2003)
Literature Reference DOI 10.1021/np030127c
Molecular Weight 622.582 g/mol
Solvent CD3OD
Source File Reference UWSP148