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#1;BIDENLIGNASIDE-A;3-HYDROXY-1-(4-HYDROXY-3-METHOXYPHENYL)-3-[5-(E)-(3-HYDROXYPROP-1-ENYL)-3-METHOXY-2-O-BETA-D-GLUCOPYRANOSYL-PHENYL]-PROPAN-1-ONE

View entire compound with spectra: 1 NMR

#1;BIDENLIGNASIDE-A;3-HYDROXY-1-(4-HYDROXY-3-METHOXYPHENYL)-3-[5-(E)-(3-HYDROXYPROP-1-ENYL)-3-METHOXY-2-O-BETA-D-GLUCOPYRANOSYL-PHENYL]-PROPAN-1-ONE
SpectraBase Compound ID FcHQxG1t9XJ
InChI InChI=1S/C26H32O12/c1-35-19-10-14(5-6-16(19)29)17(30)11-18(31)15-8-13(4-3-7-27)9-20(36-2)25(15)38-26-24(34)23(33)22(32)21(12-28)37-26/h3-6,8-10,18,21-24,26-29,31-34H,7,11-12H2,1-2H3/b4-3+/t18-,21-,22-,23+,24-,26+/m1/s1
InChIKey SWUYIHFWXBMJBL-GQXMQGOASA-N
Mol Weight 536.5 g/mol
Molecular Formula C26H32O12
Exact Mass 536.189376 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BfaQjlziLcc
Name #1;BIDENLIGNASIDE-A;3-HYDROXY-1-(4-HYDROXY-3-METHOXYPHENYL)-3-[5-(E)-(3-HYDROXYPROP-1-ENYL)-3-METHOXY-2-O-BETA-D-GLUCOPYRANOSYL-PHENYL]-PROPAN-1-ONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H32O12
InChI InChI=1S/C26H32O12/c1-35-19-10-14(5-6-16(19)29)17(30)11-18(31)15-8-13(4-3-7-27)9-20(36-2)25(15)38-26-24(34)23(33)22(32)21(12-28)37-26/h3-6,8-10,18,21-24,26-29,31-34H,7,11-12H2,1-2H3/b4-3+/t18-,21-,22-,23+,24-,26+/m1/s1
InChIKey SWUYIHFWXBMJBL-GQXMQGOASA-N
Literature Reference Author N.L.WANG,J.WANG,X.S.YAO,S.KITANAKA
Literature Reference Citation CHEM.PHARM.BULL.,54,1190(2006)
Literature Reference DOI 10.1248/cpb.54.1190
Molecular Weight 536.533 g/mol
Sample ID 36945
Solvent CD3OD