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CALOTHYRLONE_A;8-HYDROXY-6-METHOXY-3-(3',4'-DIHYDROXYPHENYL)-TETRALONE
SpectraBase Compound ID JimBS4QGW6d
InChI InChI=1S/C17H16O5/c1-22-12-5-11-4-10(7-15(20)17(11)16(21)8-12)9-2-3-13(18)14(19)6-9/h2-3,5-6,8,10,18-19,21H,4,7H2,1H3/t10-/m1/s1
InChIKey FLADMORRGKOTND-SNVBAGLBSA-N
Mol Weight 300.31 g/mol
Molecular Formula C17H16O5
Exact Mass 300.099774 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6gbeD01XzEI
Name CALOTHYRLONE_A;8-HYDROXY-6-METHOXY-3-(3',4'-DIHYDROXYPHENYL)-TETRALONE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H16O5
InChI InChI=1S/C17H16O5/c1-22-12-5-11-4-10(7-15(20)17(11)16(21)8-12)9-2-3-13(18)14(19)6-9/h2-3,5-6,8,10,18-19,21H,4,7H2,1H3/t10-/m1/s1
InChIKey FLADMORRGKOTND-SNVBAGLBSA-N
Literature Reference Author K.P.DEVKOTA,D.COVELL,T.RANSOM,J.B.MCMAHO,J.A.BEUTLER
Literature Reference Citation J.NAT.PROD.,76,710(2013)
Literature Reference DOI 10.1021/np400042q
Molecular Weight 300.311 g/mol
Sample ID 42433
Solvent CDCl3