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3'-[GAMMA-HYDROXYMETHYL-(E)-GAMMA-METHYLALLYL]-2,4,2',4'-TETRAHYDROXYCHALCONE-11'-O-COUMARATE
SpectraBase Compound ID LbCZaprJBiS
InChI InChI=1S/C29H26O8/c1-18(17-37-28(35)15-5-19-3-8-21(30)9-4-19)2-11-23-26(33)14-12-24(29(23)36)25(32)13-7-20-6-10-22(31)16-27(20)34/h2-10,12-16,30-31,33-34,36H,11,17H2,1H3/b13-7+,15-5+,18-2+
InChIKey XXQUTHYOIGFGPG-MPKNGZDBSA-N
Mol Weight 502.52 g/mol
Molecular Formula C29H26O8
Exact Mass 502.162768 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FzvhyMi5mFQ
Name 3'-[GAMMA-HYDROXYMETHYL-(E)-GAMMA-METHYLALLYL]-2,4,2',4'-TETRAHYDROXYCHALCONE-11'-O-COUMARATE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H26O8
InChI InChI=1S/C29H26O8/c1-18(17-37-28(35)15-5-19-3-8-21(30)9-4-19)2-11-23-26(33)14-12-24(29(23)36)25(32)13-7-20-6-10-22(31)16-27(20)34/h2-10,12-16,30-31,33-34,36H,11,17H2,1H3/b13-7+,15-5+,18-2+
InChIKey XXQUTHYOIGFGPG-MPKNGZDBSA-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 502.521 g/mol
Solvent ACETONE-D6
Source File Reference UWSI2119