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SCROBICULATONE-A;1-BENZOYL-8,8-DIMETHYL-5,7-BIS-(3-METHYLBUT-2-ENYL)-3,4-(2,2-DIMETHYLPYRAN-[5,6:3,4]-EXO-BICYCLO-[3.3.1]-NON-3-ENE-2,9-DIONE
SpectraBase Compound ID HxOgWoO35XM
InChI InChI=1S/C33H40O4/c1-21(2)14-15-24-20-32(19-16-22(3)4)28-25(17-18-30(5,6)37-28)27(35)33(29(32)36,31(24,7)8)26(34)23-12-10-9-11-13-23/h9-14,16-18,24H,15,19-20H2,1-8H3/t24-,32-,33+/m0/s1
InChIKey XHNITESEQBZPTO-FELIMUHFSA-N
Mol Weight 500.7 g/mol
Molecular Formula C33H40O4
Exact Mass 500.29266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID XbhK3BUtQZ
Name SCROBICULATONE-A;1-BENZOYL-8,8-DIMETHYL-5,7-BIS-(3-METHYLBUT-2-ENYL)-3,4-(2,2-DIMETHYLPYRAN-[5,6:3,4]-EXO-BICYCLO-[3.3.1]-NON-3-ENE-2,9-DIONE
Compound Number 9A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H40O4
InChI InChI=1S/C33H40O4/c1-21(2)14-15-24-20-32(19-16-22(3)4)28-25(17-18-30(5,6)37-28)27(35)33(29(32)36,31(24,7)8)26(34)23-12-10-9-11-13-23/h9-14,16-18,24H,15,19-20H2,1-8H3/t24-,32-,33+/m0/s1
InChIKey XHNITESEQBZPTO-FELIMUHFSA-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 500.678 g/mol
Solvent CDCl3
Source File Reference UWLU2605