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CYANIDIN-3-O-(3''-O-BETA-GLUCOPYRANOSYL-6''-O-METHYLMALONYL-BETA-GLUCOPYRANOSIDE)
SpectraBase Compound ID AZhkhUm52s3
InChI InChI=1S/C31H34O19/c1-44-21(37)8-22(38)45-10-20-24(40)29(50-30-26(42)25(41)23(39)19(9-32)48-30)27(43)31(49-20)47-18-7-13-15(35)5-12(33)6-17(13)46-28(18)11-2-3-14(34)16(36)4-11/h2-7,19-20,23-27,29-32,39-43H,8-10H2,1H3,(H3-,33,34,35,36)/p+1/t19-,20-,23-,24-,25+,26-,27-,29+,30+,31-/m1/s1
InChIKey KMLPHBZWCZYJJY-SKVAVYTJSA-O
Mol Weight 711.6 g/mol
Molecular Formula C31H35O19
Exact Mass 711.177254 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9nYMAqtxHqG
Name CYANIDIN-3-O-(3''-O-BETA-GLUCOPYRANOSYL-6''-O-METHYLMALONYL-BETA-GLUCOPYRANOSIDE)
Compound Number 9B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H35O19
InChI InChI=1S/C31H34O19/c1-44-21(37)8-22(38)45-10-20-24(40)29(50-30-26(42)25(41)23(39)19(9-32)48-30)27(43)31(49-20)47-18-7-13-15(35)5-12(33)6-17(13)46-28(18)11-2-3-14(34)16(36)4-11/h2-7,19-20,23-27,29-32,39-43H,8-10H2,1H3,(H3-,33,34,35,36)/p+1/t19-,20-,23-,24-,25+,26-,27-,29+,30+,31-/m1/s1
InChIKey KMLPHBZWCZYJJY-SKVAVYTJSA-O
Literature Reference Author T.FOSSEN,R.SLIMESTAD,O.M.ANDERSEN
Literature Reference Citation PHYTOCHEM.,64,1367(2003)
Literature Reference DOI 10.1016/j.phytochem.2003.08.019
Molecular Weight 711.607 g/mol
Solvent CF3CO2D:CD3OD=5:95
Source File Reference UWKP5804