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PAEONIDANIN-C
SpectraBase Compound ID GbHX1ioDTYh
InChI InChI=1S/C31H34O13/c1-29-13-20(33)19-12-31(29,30(19,28(39-2)44-29)15-41-26(38)17-8-10-18(32)11-9-17)43-27-24(36)23(35)22(34)21(42-27)14-40-25(37)16-6-4-3-5-7-16/h3-11,19,21-24,27-28,32,34-36H,12-15H2,1-2H3/t19-,21-,22-,23+,24-,27+,28-,29+,30-,31+/m0/s1
InChIKey PBDROKLULCIDPL-ROPMQBEHSA-N
Mol Weight 614.6 g/mol
Molecular Formula C31H34O13
Exact Mass 614.199941 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L9KRxX1xUJK
Name PAEONIDANIN-C
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H34O13
InChI InChI=1S/C31H34O13/c1-29-13-20(33)19-12-31(29,30(19,28(39-2)44-29)15-41-26(38)17-8-10-18(32)11-9-17)43-27-24(36)23(35)22(34)21(42-27)14-40-25(37)16-6-4-3-5-7-16/h3-11,19,21-24,27-28,32,34-36H,12-15H2,1-2H3/t19-,21-,22-,23+,24-,27+,28-,29+,30-,31+/m0/s1
InChIKey PBDROKLULCIDPL-ROPMQBEHSA-N
Literature Reference Author L.DING,Z.JIANG,Y.LIU,L.CHEN,Q.ZHAO,X.YAO,F.ZHAO,F.QIU
Literature Reference Citation FITOTERAPIA,83,1598(2012)
Literature Reference DOI 10.1016/j.fitote.2012.09.008
Molecular Weight 614.603 g/mol
Sample ID 72104
Solvent CD3OD