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IALIBINONE-B;8-HYDROXY-4,4,7-TRIMETHYL-9-(2-METHYLPROPIONYL)-3-ALPHA-(1-METHYLVINYL)-5-BETA-H-TRICYCLO-[5.3.1.0(1,5)]-UNDEC-8-ENE-10,11-DIONE

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IALIBINONE-B;8-HYDROXY-4,4,7-TRIMETHYL-9-(2-METHYLPROPIONYL)-3-ALPHA-(1-METHYLVINYL)-5-BETA-H-TRICYCLO-[5.3.1.0(1,5)]-UNDEC-8-ENE-10,11-DIONE
SpectraBase Compound ID 3te6OAaQmJO
InChI InChI=1S/C21H28O4/c1-10(2)12-8-21-13(19(12,5)6)9-20(7,18(21)25)16(23)14(17(21)24)15(22)11(3)4/h11-13,23H,1,8-9H2,2-7H3/t12-,13+,20-,21?/m1/s1
InChIKey WBAVIIHCFULVRM-OZEQKZBPSA-N
Mol Weight 344.45 g/mol
Molecular Formula C21H28O4
Exact Mass 344.198759 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JR7JAGogUE6
Name IALIBINONE-B;8-HYDROXY-4,4,7-TRIMETHYL-9-(2-METHYLPROPIONYL)-3-ALPHA-(1-METHYLVINYL)-5-BETA-H-TRICYCLO-[5.3.1.0(1,5)]-UNDEC-8-ENE-10,11-DIONE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H28O4
InChI InChI=1S/C21H28O4/c1-10(2)12-8-21-13(19(12,5)6)9-20(7,18(21)25)16(23)14(17(21)24)15(22)11(3)4/h11-13,23H,1,8-9H2,2-7H3/t12-,13+,20-,21?/m1/s1
InChIKey WBAVIIHCFULVRM-OZEQKZBPSA-N
Literature Reference Author K.WINKELMANN,J.HEILMANN,O.ZERBE,T.RALI,O.STICHER
Literature Reference Citation J.NAT.PROD.,63,104(2000)
Literature Reference DOI 10.1021/np990417m
Molecular Weight 344.451 g/mol
Solvent CDCl3
Source File Reference UWRU1738