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GAUDICHAUDIANIC-ACID;(2S)-2-METHYL-2-(4'-METHYL-3'-PENTENYL)-8-(3''-METHYL-2''-BUTENYL)-2H-1-BENZOPYRAN-6-CARBOXYLIC-ACID

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GAUDICHAUDIANIC-ACID;(2S)-2-METHYL-2-(4'-METHYL-3'-PENTENYL)-8-(3''-METHYL-2''-BUTENYL)-2H-1-BENZOPYRAN-6-CARBOXYLIC-ACID
SpectraBase Compound ID CfNwWzW5M6y
InChI InChI=1S/C22H28O3/c1-15(2)7-6-11-22(5)12-10-18-14-19(21(23)24)13-17(20(18)25-22)9-8-16(3)4/h7-8,10,12-14H,6,9,11H2,1-5H3,(H,23,24)/t22-/m0/s1
InChIKey TXHBNVYFCZMCPB-QFIPXVFZSA-N
Mol Weight 340.46 g/mol
Molecular Formula C22H28O3
Exact Mass 340.203845 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GWEAakpV6KP
Name GAUDICHAUDIANIC-ACID;(2S)-2-METHYL-2-(4'-METHYL-3'-PENTENYL)-8-(3''-METHYL-2''-BUTENYL)-2H-1-BENZOPYRAN-6-CARBOXYLIC-ACID
Compound Number 20
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H28O3
InChI InChI=1S/C22H28O3/c1-15(2)7-6-11-22(5)12-10-18-14-19(21(23)24)13-17(20(18)25-22)9-8-16(3)4/h7-8,10,12-14H,6,9,11H2,1-5H3,(H,23,24)/t22-/m0/s1
InChIKey TXHBNVYFCZMCPB-QFIPXVFZSA-N
Literature Reference Author J.H.G.LAGO,C.S.RAMOS,D.C.C.CASANOVA,A.D.A.MORANDIM,D.C.B.BER GAMO,A.J.CAVALHEIRO,
Literature Reference Citation J.NAT.PROD.,67,1783(2004)
Literature Reference DOI 10.1021/np030530j
Molecular Weight 340.463 g/mol
Solvent CDCl3
Source File Reference UWMZ6648