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MALLOTOJAPONIN_C;1-METHYLENE-BIS-4-METHOXY-6-HYDROXY-3-(3,3-DIMETHYLALLYL)-2-METHOXYACETOPHENONE
SpectraBase Compound ID 9IJFFQKY95A
InChI InChI=1S/C29H36O8/c1-14(2)9-11-18-24(32)22(16(5)30)26(34)20(28(18)36-7)13-21-27(35)23(17(6)31)25(33)19(29(21)37-8)12-10-15(3)4/h9-10,32-35H,11-13H2,1-8H3
InChIKey SQDDGCHCPZMCOU-UHFFFAOYSA-N
Mol Weight 512.6 g/mol
Molecular Formula C29H36O8
Exact Mass 512.241018 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 59DpVomReiE
Name MALLOTOJAPONIN_C;1-METHYLENE-BIS-4-METHOXY-6-HYDROXY-3-(3,3-DIMETHYLALLYL)-2-METHOXYACETOPHENONE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H36O8
InChI InChI=1S/C29H36O8/c1-14(2)9-11-18-24(32)22(16(5)30)26(34)20(28(18)36-7)13-21-27(35)23(17(6)31)25(33)19(29(21)37-8)12-10-15(3)4/h9-10,32-35H,11-13H2,1-8H3
InChIKey SQDDGCHCPZMCOU-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 512.600 g/mol
Sample ID 42283
Solvent CDCl3