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2,4-DIMETHYL-WEDDELLIANONE-A;4-BENZOYL-3,5-DIMETHOXY-2,6-BIS-(3-METHYLBUT-2-ENYL)-6-[5-METHYL-2-(1-METHYLVINYL)-HEXA-4-ENYL]-CYCLOHEXA-2,4-DIEN-1-
SpectraBase Compound ID 4mlg96PdcDR
InChI InChI=1S/C35H46O4/c1-23(2)16-18-28(26(7)8)22-35(21-20-25(5)6)33(37)29(19-17-24(3)4)32(38-9)30(34(35)39-10)31(36)27-14-12-11-13-15-27/h11-17,20,28H,7,18-19,21-22H2,1-6,8-10H3
InChIKey FXGFZUMUVJEDML-UHFFFAOYSA-N
Mol Weight 530.7 g/mol
Molecular Formula C35H46O4
Exact Mass 530.33961 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Lc8hBTtkJR8
Name 2,4-DIMETHYL-WEDDELLIANONE-A;4-BENZOYL-3,5-DIMETHOXY-2,6-BIS-(3-METHYLBUT-2-ENYL)-6-[5-METHYL-2-(1-METHYLVINYL)-HEXA-4-ENYL]-CYCLOHEXA-2,4-DIEN-1-
Compound Number 3B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H46O4
InChI InChI=1S/C35H46O4/c1-23(2)16-18-28(26(7)8)22-35(21-20-25(5)6)33(37)29(19-17-24(3)4)32(38-9)30(34(35)39-10)31(36)27-14-12-11-13-15-27/h11-17,20,28H,7,18-19,21-22H2,1-6,8-10H3
InChIKey FXGFZUMUVJEDML-UHFFFAOYSA-N
Literature Reference Author A.L.M.PORTO,S.M.F.MACHADO,C.M.A.D.OLIVEIRA,V.BITTRICH,M.D.C. E.AMARAL,A.J.MARSAIO
Literature Reference Citation PHYTOCHEM.,55,755(2000)
Literature Reference DOI 10.1016/S0031-9422(00)00292-2
Molecular Weight 530.748 g/mol
Solvent CDCl3
Source File Reference UWLU2598