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CYANIDIN-3-O-[6''-O-(2'''-O-ACETYL-ALPHA-RHAMNOPYRANOSYL)-BETA-GLUCOPYRANOSIDE]
SpectraBase Compound ID COoc0EfYWNA
InChI InChI=1S/C29H32O16/c1-10-21(35)24(38)27(42-11(2)30)29(41-10)40-9-20-22(36)23(37)25(39)28(45-20)44-19-8-14-16(33)6-13(31)7-18(14)43-26(19)12-3-4-15(32)17(34)5-12/h3-8,10,20-25,27-29,35-39H,9H2,1-2H3,(H3-,31,32,33,34)/p+1/t10-,20+,21-,22+,23-,24+,25+,27+,28+,29+/m1/s1
InChIKey UWZBELLXMNIONJ-PWXUNVLDSA-O
Mol Weight 637.6 g/mol
Molecular Formula C29H33O16
Exact Mass 637.17686 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LT0AbXBsDN4
Name CYANIDIN-3-O-[6''-O-(2'''-O-ACETYL-ALPHA-RHAMNOPYRANOSYL)-BETA-GLUCOPYRANOSIDE]
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H33O16
InChI InChI=1S/C29H32O16/c1-10-21(35)24(38)27(42-11(2)30)29(41-10)40-9-20-22(36)23(37)25(39)28(45-20)44-19-8-14-16(33)6-13(31)7-18(14)43-26(19)12-3-4-15(32)17(34)5-12/h3-8,10,20-25,27-29,35-39H,9H2,1-2H3,(H3-,31,32,33,34)/p+1/t10-,20+,21-,22+,23-,24+,25+,27+,28+,29+/m1/s1
InChIKey UWZBELLXMNIONJ-PWXUNVLDSA-O
Literature Reference Author K.TORSKANGERPOLL,T.FOSSEN,O.M.ANDERSEN
Literature Reference Citation PHYTOCHEM.,52,1687(1999)
Literature Reference DOI 10.1016/S0031-9422(99)00328-3
Molecular Weight 637.571 g/mol
Solvent CD3OD:CF3COOD=19:1
Source File Reference UWVN331