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8-O-BENZOYLPAEONIDANIN

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8-O-BENZOYLPAEONIDANIN
SpectraBase Compound ID 4YvKMHpmUi7
InChI InChI=1S/C31H34O12/c1-29-14-20(32)19-13-31(29,30(19,28(38-2)43-29)16-40-26(37)18-11-7-4-8-12-18)42-27-24(35)23(34)22(33)21(41-27)15-39-25(36)17-9-5-3-6-10-17/h3-12,19,21-24,27-28,33-35H,13-16H2,1-2H3/t19-,21-,22-,23+,24-,27+,28-,29-,30-,31-/m0/s1
InChIKey FHQISCVSTDQXSV-CAPNLJSASA-N
Mol Weight 598.6 g/mol
Molecular Formula C31H34O12
Exact Mass 598.205027 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 50qj8i0nTAc
Name PAEONIDANIN_A;6'-O-BENZOYLPAEONIDANIN
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H34O12
InChI InChI=1S/C31H34O12/c1-29-14-20(32)19-13-31(29,30(19,28(38-2)43-29)16-40-26(37)18-11-7-4-8-12-18)42-27-24(35)23(34)22(33)21(41-27)15-39-25(36)17-9-5-3-6-10-17/h3-12,19,21-24,27-28,33-35H,13-16H2,1-2H3/t19-,21-,22-,23+,24-,27+,28-,29-,30-,31-/m0/s1
InChIKey FHQISCVSTDQXSV-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 598.604 g/mol
Sample ID 33462
Solvent CD3OD