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PAEONIDAGENIN
SpectraBase Compound ID G4lqu66akJI
InChI InChI=1S/C18H20O6/c1-16-9-13(19)12-8-18(16,21)17(12,15(22-2)24-16)10-23-14(20)11-6-4-3-5-7-11/h3-7,12,15,21H,8-10H2,1-2H3/t12-,15-,16-,17+,18-/m0/s1
InChIKey GHLQXVJMYVGPCU-IXJQEDDXSA-N
Mol Weight 332.35 g/mol
Molecular Formula C18H20O6
Exact Mass 332.125988 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID tMjSpi7BlN
Name PAEONIDAGENIN
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H20O6
InChI InChI=1S/C18H20O6/c1-16-9-13(19)12-8-18(16,21)17(12,15(22-2)24-16)10-23-14(20)11-6-4-3-5-7-11/h3-7,12,15,21H,8-10H2,1-2H3/t12-,15-,16-,17+,18-/m0/s1
InChIKey GHLQXVJMYVGPCU-IXJQEDDXSA-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 332.353 g/mol
Sample ID 33461
Solvent CDCl3