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XANTHOKEISMIN_A;3-[(2-E,5-E)-7-HYDROXY-3,7-DIMETHYLOCTA-2,5-DIENYL]-4,2',4'-TRIHYDROXYCHALCONE
SpectraBase Compound ID ABflM188UjH
InChI InChI=1S/C25H28O5/c1-17(5-4-16-25(2,3)30)6-12-20-23(28)15-13-21(24(20)29)22(27)14-9-18-7-10-19(26)11-8-18/h4,6-11,13-16,26,28-30H,5,12H2,1-3H3/b14-9+,16-4+,17-6+
InChIKey QJCKCZSARZRFFO-OILXWVNISA-N
Mol Weight 408.49 g/mol
Molecular Formula C25H28O5
Exact Mass 408.193674 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 597XEv4dyF4
Name XANTHOKEISMIN_A;3-[(2-E,5-E)-7-HYDROXY-3,7-DIMETHYLOCTA-2,5-DIENYL]-4,2',4'-TRIHYDROXYCHALCONE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H28O5
InChI InChI=1S/C25H28O5/c1-17(5-4-16-25(2,3)30)6-12-20-23(28)15-13-21(24(20)29)22(27)14-9-18-7-10-19(26)11-8-18/h4,6-11,13-16,26,28-30H,5,12H2,1-3H3/b14-9+,16-4+,17-6+
InChIKey QJCKCZSARZRFFO-OILXWVNISA-N
Literature Reference Author N.AOKI,M.MUKO,E.OHTA,S.OHTA
Literature Reference Citation J.NAT.PROD.,71,1308(2008)
Literature Reference DOI 10.1021/np800187f
Molecular Weight 408.494 g/mol
Sample ID 28768
Solvent CDCl3:CD3OD=6:1