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1-O-(4''-O-CAFFEOYL)-BETA-GLUCOPYRANOSYL-1,4-DIHYDROXY-2-(3',3'-DIMETHYLALLYL)-BENZENE
SpectraBase Compound ID HvDCTXqvPTE
InChI InChI=1S/C26H30O10/c1-14(2)3-6-16-12-17(28)7-9-20(16)34-26-24(33)23(32)25(21(13-27)35-26)36-22(31)10-5-15-4-8-18(29)19(30)11-15/h3-5,7-12,21,23-30,32-33H,6,13H2,1-2H3/b10-5+/t21-,23-,24-,25-,26-/m1/s1
InChIKey NCCLLRBZVMPSLE-HEWQUDLHSA-N
Mol Weight 502.52 g/mol
Molecular Formula C26H30O10
Exact Mass 502.183897 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GIogOfW3w0a
Name 1-O-(4''-O-CAFFEOYL)-BETA-GLUCOPYRANOSYL-1,4-DIHYDROXY-2-(3',3'-DIMETHYLALLYL)-BENZENE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H30O10
InChI InChI=1S/C26H30O10/c1-14(2)3-6-16-12-17(28)7-9-20(16)34-26-24(33)23(32)25(21(13-27)35-26)36-22(31)10-5-15-4-8-18(29)19(30)11-15/h3-5,7-12,21,23-30,32-33H,6,13H2,1-2H3/b10-5+/t21-,23-,24-,25-,26-/m1/s1
InChIKey NCCLLRBZVMPSLE-HEWQUDLHSA-N
Literature Reference Author L.GONGORA,R.M.GINER,S.MANEZ,M.D.C.RECIO,J.L.RIOS
Literature Reference Citation J.NAT.PROD.,64,1111(2001)
Literature Reference DOI 10.1021/np010166t
Molecular Weight 502.518 g/mol
Solvent CD3OD
Source File Reference UWSI1844