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PAEONIDANIN_C;6'-O-BENZOYL-4''-HYDROXYPAEONIDANIN

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PAEONIDANIN_C;6'-O-BENZOYL-4''-HYDROXYPAEONIDANIN
SpectraBase Compound ID 5nhdy77ptia
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-CAPNLJSASA-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 KeMtR8pA9cw
Name PAEONIDANIN_C;6'-O-BENZOYL-4''-HYDROXYPAEONIDANIN
Compound Number 4
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-CAPNLJSASA-N
Literature Reference Author W.J.DUAN,J.Y.YANG,L.X.CHEN,L.J.ZHANG,Z.H.JIANG,X.D.CAI,X.ZHA NG,F.QIU
Literature Reference Citation J.NAT.PROD.,72,1579(2009)
Literature Reference DOI 10.1021/np9001898
Molecular Weight 614.603 g/mol
Sample ID 33464
Solvent CD3OD