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GEMICHALCONE_C;3'-[GAMMA-HYDROXYMETHYL-(Z)-GAMMAMETHYLALLYL]-2',4',2,4-TETRAHYDROXYCHALCONE_11'-O-FERULATE
SpectraBase Compound ID 3kApUidOwrN
InChI InChI=1S/C30H28O9/c1-18(17-39-29(36)14-5-19-4-11-26(34)28(15-19)38-2)3-9-22-25(33)13-10-23(30(22)37)24(32)12-7-20-6-8-21(31)16-27(20)35/h3-8,10-16,31,33-35,37H,9,17H2,1-2H3/b12-7+,14-5+,18-3+
InChIKey OFKHJNZDWNKYOY-MNYVGDBSSA-N
Mol Weight 532.55 g/mol
Molecular Formula C30H28O9
Exact Mass 532.173332 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2i5Sf9GIlby
Name ISOGEMICHALCONE-C;3'-[GAMMA-HYDROXYMETHYL-(E)-GAMMA-METHYLALLYL]-2,4,2',4'-TETRAHYDROXYCHALCONE-11'-O-FERULATE
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H28O9
InChI InChI=1S/C30H28O9/c1-18(17-39-29(36)14-5-19-4-11-26(34)28(15-19)38-2)3-9-22-25(33)13-10-23(30(22)37)24(32)12-7-20-6-8-21(31)16-27(20)35/h3-8,10-16,31,33-35,37H,9,17H2,1-2H3/b12-7+,14-5+,18-3+
InChIKey OFKHJNZDWNKYOY-MNYVGDBSSA-N
Literature Reference Author D.LEE,K.P.L.BHAT,H.H.S.FONG,N.R.FARNSWORTH,J.M.PEZZUTO,A.D.K INGHORN
Literature Reference Citation J.NAT.PROD.,64,1286(2001)
Literature Reference DOI 10.1021/np010288l
Molecular Weight 532.547 g/mol
Solvent ACETONE-D6
Source File Reference UWSI2118