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1-[5,7-dihydroxy-2-methyl-2-(4-methylpent-3-enyl)chroman-8-yl]-2-methylbutan-1-one
SpectraBase Compound ID 5u3FRWEU5PK
InChI InChI=1S/C21H30O4/c1-6-14(4)19(24)18-17(23)12-16(22)15-9-11-21(5,25-20(15)18)10-7-8-13(2)3/h8,12,14,22-23H,6-7,9-11H2,1-5H3
InChIKey ABVFMWBMLLVZDP-UHFFFAOYSA-N
Mol Weight 346.47 g/mol
Molecular Formula C21H30O4
Exact Mass 346.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2yhuXjAf0hV
Name 1-[5,7-dihydroxy-2-methyl-2-(4-methylpent-3-enyl)chroman-8-yl]-2-methylbutan-1-one
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H30O4
InChI InChI=1S/C21H30O4/c1-6-14(4)19(24)18-17(23)12-16(22)15-9-11-21(5,25-20(15)18)10-7-8-13(2)3/h8,12,14,22-23H,6-7,9-11H2,1-5H3
InChIKey ABVFMWBMLLVZDP-UHFFFAOYSA-N
Literature Reference Author S.SCHMIDT,G.JUERGENLIEMK,T.J.SCHMIDT,H.SKALTSA,J.HEILMANN
Literature Reference Citation J.NAT.PROD.,75,1697(2012)
Literature Reference DOI 10.1021/np300237n
Molecular Weight 346.467 g/mol
Sample ID 41494
Solvent CDCl3