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VERBENACHALCONE;4,2',4',2''',4'''-PENTAHYDROXY-3''-METHOXY-3-O-4''-TETRAHYDROBICHALCONE
SpectraBase Compound ID 8DE67Pu5QkL
InChI InChI=1S/C31H28O9/c1-39-31-15-19(3-11-25(35)23-9-7-21(33)17-28(23)38)5-13-29(31)40-30-14-18(4-12-26(30)36)2-10-24(34)22-8-6-20(32)16-27(22)37/h4-9,12-17,32-33,36-38H,2-3,10-11H2,1H3
InChIKey IBCUKCLBAVTGLY-UHFFFAOYSA-N
Mol Weight 544.56 g/mol
Molecular Formula C31H28O9
Exact Mass 544.173332 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LbJkjiqlgxl
Name VERBENACHALCONE;4,2',4',2''',4'''-PENTAHYDROXY-3''-METHOXY-3-O-4''-TETRAHYDROBICHALCONE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H28O9
InChI InChI=1S/C31H28O9/c1-39-31-15-19(3-11-25(35)23-9-7-21(33)17-28(23)38)5-13-29(31)40-30-14-18(4-12-26(30)36)2-10-24(34)22-8-6-20(32)16-27(22)37/h4-9,12-17,32-33,36-38H,2-3,10-11H2,1H3
InChIKey IBCUKCLBAVTGLY-UHFFFAOYSA-N
Literature Reference Author Y.S.LI,K.MATSUNAGA,R.KATO,Y.OHIZUMI
Literature Reference Citation J.NAT.PROD.,64,806(2001)
Literature Reference DOI 10.1021/np000602w
Molecular Weight 544.558 g/mol
Solvent CDCl3
Source File Reference UWSI1632