John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=9ZGOcMrRSRu SpectraBase Spectrum ID=EW8MoAItSml

(accessed ).
PELARGONIDIN-3-O-(6-O-(MALONYL)-BETA-D-GLUCOPYRANOSIDE)-5-O-(6-O-(ACETYL)-BETA-D-GLUCOPYRANOSIDE)
SpectraBase Compound ID 9ZGOcMrRSRu
InChI InChI=1S/C32H34O20/c1-11(33)46-9-20-24(40)26(42)28(44)31(51-20)49-18-6-13(34)5-17-14(18)7-19(30(48-17)12-2-3-15(35)16(36)4-12)50-32-29(45)27(43)25(41)21(52-32)10-47-23(39)8-22(37)38/h2-7,20-21,24-29,31-32,40-45H,8-10H2,1H3,(H3-,34,35,36,37,38)/p+1/t20-,21-,24-,25-,26+,27+,28-,29-,31-,32-/m0/s1
InChIKey LDYJNPCHGAMBQZ-XSAOJNPVSA-O
Mol Weight 739.6 g/mol
Molecular Formula C32H35O20
Exact Mass 739.172169 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EW8MoAItSml
Name PELARGONIDIN-3-O-(6-O-(MALONYL)-BETA-D-GLUCOPYRANOSIDE)-5-O-(6-O-(ACETYL)-BETA-D-GLUCOPYRANOSIDE)
Compound Number 3
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H35O20
InChI InChI=1S/C32H34O20/c1-11(33)46-9-20-24(40)26(42)28(44)31(51-20)49-18-6-13(34)5-17-14(18)7-19(30(48-17)12-2-3-15(35)16(36)4-12)50-32-29(45)27(43)25(41)21(52-32)10-47-23(39)8-22(37)38/h2-7,20-21,24-29,31-32,40-45H,8-10H2,1H3,(H3-,34,35,36,37,38)/p+1/t20-,21-,24-,25-,26+,27+,28-,29-,31-,32-/m0/s1
InChIKey LDYJNPCHGAMBQZ-XSAOJNPVSA-O
Literature Reference Author K.TOKI,N.SAITO,H.KUWANO,N.TERAHARA,T.HONDA
Literature Reference Citation PHYTOCHEM.,38,515(1995)
Literature Reference DOI 10.1016/0031-9422(94)00698-S
Molecular Weight 739.618 g/mol
Solvent TFA-D1:DMSO-D6=9:1
Source File Reference UWMS4826
SpectraBase Batch ID 8lEvMG7jiig