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METHYL-INSIGNINONE;1-BENZOYL-2-METHOXY-8,8-DIMETHYL-3,5-BIS-(3-METHYLBUT-2-ENYL)-7-(3-METHYL-4-ACETOXY-BUT-2-ENYL)-ENDO-BICYCLO-[3.3.1]-NON-2-ENE-
SpectraBase Compound ID LO44jfMoneW
InChI InChI=1S/C36H46O6/c1-23(2)15-18-29-31(39)35(20-19-24(3)4)21-28(17-16-25(5)22-42-26(6)37)34(7,8)36(33(35)40,32(29)41-9)30(38)27-13-11-10-12-14-27/h10-16,19,28H,17-18,20-22H2,1-9H3/b25-16+/t28-,35-,36+/m0/s1
InChIKey OJUJPTNNGINACA-CZNBEGJRSA-N
Mol Weight 574.8 g/mol
Molecular Formula C36H46O6
Exact Mass 574.329439 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EBQZBjk0AlX
Name METHYL-INSIGNINONE;1-BENZOYL-2-METHOXY-8,8-DIMETHYL-3,5-BIS-(3-METHYLBUT-2-ENYL)-7-(3-METHYL-4-ACETOXY-BUT-2-ENYL)-ENDO-BICYCLO-[3.3.1]-NON-2-ENE-
Compound Number 8A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H46O6
InChI InChI=1S/C36H46O6/c1-23(2)15-18-29-31(39)35(20-19-24(3)4)21-28(17-16-25(5)22-42-26(6)37)34(7,8)36(33(35)40,32(29)41-9)30(38)27-13-11-10-12-14-27/h10-16,19,28H,17-18,20-22H2,1-9H3/b25-16+/t28-,35-,36+/m0/s1
InChIKey OJUJPTNNGINACA-CZNBEGJRSA-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 574.758 g/mol
Solvent CDCl3
Source File Reference UWLU2604