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3-(3,6-BIS-O-[2-(METHOXYCARBONYL)-ACETYL]-BETA-D-GLUCOPYRANOSYLOXY)-2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-4H-BENZOPYRAN-4-ONE

View entire compound with spectra: 1 NMR

3-(3,6-BIS-O-[2-(METHOXYCARBONYL)-ACETYL]-BETA-D-GLUCOPYRANOSYLOXY)-2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-4H-BENZOPYRAN-4-ONE
SpectraBase Compound ID EPSirG1QLRZ
InChI InChI=1S/C29H28O18/c1-41-18(34)8-20(36)43-10-17-23(38)27(46-21(37)9-19(35)42-2)25(40)29(45-17)47-28-24(39)22-15(33)6-12(30)7-16(22)44-26(28)11-3-4-13(31)14(32)5-11/h3-7,17,23,25,27,29-33,38,40H,8-10H2,1-2H3/t17-,23-,25-,27+,29+/m1/s1
InChIKey LDCCYFVHFKHUIY-VTQGCWJGSA-N
Mol Weight 664.52 g/mol
Molecular Formula C29H28O18
Exact Mass 664.127564 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DmfV8aOGo8l
Name 3-(3,6-BIS-O-[2-(METHOXYCARBONYL)-ACETYL]-BETA-D-GLUCOPYRANOSYLOXY)-2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-4H-BENZOPYRAN-4-ONE
Compound Number 22C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H28O18
InChI InChI=1S/C29H28O18/c1-41-18(34)8-20(36)43-10-17-23(38)27(46-21(37)9-19(35)42-2)25(40)29(45-17)47-28-24(39)22-15(33)6-12(30)7-16(22)44-26(28)11-3-4-13(31)14(32)5-11/h3-7,17,23,25,27,29-33,38,40H,8-10H2,1-2H3/t17-,23-,25-,27+,29+/m1/s1
InChIKey LDCCYFVHFKHUIY-VTQGCWJGSA-N
Literature Reference Author B.DANIELI,A.BERTARIO,G.CARREA,B.REDIGOLO,F.SECUNDO,S.RIVA
Literature Reference Citation HELV.CHIM.ACTA,76,2981(1993)
Literature Reference DOI 10.1002/hlca.19930760823
Molecular Weight 664.531 g/mol
Solvent DMSO-D6
Source File Reference UWSK2273