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1'',2''-DIHYDROXYXANTHOHUMOL-C;(2E)-1-(3,4-DIHYDRO-5-HYDROXY-7-METHOXY-2,2-DIMETHYL-2H-1-BENZOPYRAN-6-YL)-3-(4-HYDROXYPHENYL)-2-PROPEN-1-ONE

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1'',2''-DIHYDROXYXANTHOHUMOL-C;(2E)-1-(3,4-DIHYDRO-5-HYDROXY-7-METHOXY-2,2-DIMETHYL-2H-1-BENZOPYRAN-6-YL)-3-(4-HYDROXYPHENYL)-2-PROPEN-1-ONE
SpectraBase Compound ID AaVHD2obtj5
InChI InChI=1S/C21H22O5/c1-21(2)11-10-15-17(26-21)12-18(25-3)19(20(15)24)16(23)9-6-13-4-7-14(22)8-5-13/h4-9,12,22,24H,10-11H2,1-3H3/b9-6+
InChIKey DCKAGTTYZUDEDQ-RMKNXTFCSA-N
Mol Weight 354.4 g/mol
Molecular Formula C21H22O5
Exact Mass 354.146724 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GFAt76J5vrB
Name 1'',2''-DIHYDROXYXANTHOHUMOL-C;(2E)-1-(3,4-DIHYDRO-5-HYDROXY-7-METHOXY-2,2-DIMETHYL-2H-1-BENZOPYRAN-6-YL)-3-(4-HYDROXYPHENYL)-2-PROPEN-1-ONE
Compound Number 9B
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H22O5
InChI InChI=1S/C21H22O5/c1-21(2)11-10-15-17(26-21)12-18(25-3)19(20(15)24)16(23)9-6-13-4-7-14(22)8-5-13/h4-9,12,22,24H,10-11H2,1-3H3/b9-6+
InChIKey DCKAGTTYZUDEDQ-RMKNXTFCSA-N
Literature Reference Author L.R.CHADWICK,D.NIKOLIC,J.E.BURDETTE,C.R.OVERK,J.L.BOLTON,R.B .V.BREEMEN,R.FROEHLI
Literature Reference Citation J.NAT.PROD.,67,2024(2004)
Literature Reference DOI 10.1021/np049783i
Molecular Weight 354.403 g/mol
Solvent CD3OD
Source File Reference UWMZ6838