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MALLOTOPHENONE
SpectraBase Compound ID 2Kt3zGRWAg7
InChI InChI=1S/C21H24O8/c1-8-16(24)14(10(3)22)18(26)12(20(8)28-5)7-13-19(27)15(11(4)23)17(25)9(2)21(13)29-6/h24-27H,7H2,1-6H3
InChIKey JXSPGOIAWPYMGS-UHFFFAOYSA-N
Mol Weight 404.42 g/mol
Molecular Formula C21H24O8
Exact Mass 404.147118 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1IPfq5spCA9
Name MALLOTOPHENONE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H24O8
InChI InChI=1S/C21H24O8/c1-8-16(24)14(10(3)22)18(26)12(20(8)28-5)7-13-19(27)15(11(4)23)17(25)9(2)21(13)29-6/h24-27H,7H2,1-6H3
InChIKey JXSPGOIAWPYMGS-UHFFFAOYSA-N
Literature Reference Author L.HARINANTENAINA,J.D.BOWMAN,P.J.BRODIE,C.SLEBODNICK,M.W.CALL MANDER,E.RAKOTOBE,V.
Literature Reference Citation J.NAT.PROD.,76,388(2013)
Literature Reference DOI 10.1021/np300750q
Molecular Weight 404.417 g/mol
Sample ID 42284
Solvent CDCl3