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(3E,3aS,5R,6R,7S,8aS)-3a-hydroxy-5-isobutyryl-6-methyl-7,8a-bis(3-methylbut-2-enyl)-3-(3-methylbut-2-enylidene)-6-(4-methylpent-3-enyl)-7,8-dihydro-5H-cyclohepta[c]furan-1,4-quinone

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(3E,3aS,5R,6R,7S,8aS)-3a-hydroxy-5-isobutyryl-6-methyl-7,8a-bis(3-methylbut-2-enyl)-3-(3-methylbut-2-enylidene)-6-(4-methylpent-3-enyl)-7,8-dihydro-5H-cyclohepta[c]furan-1,4-quinone
SpectraBase Compound ID Dmakv7zcIxY
InChI InChI=1S/C35H52O5/c1-22(2)13-12-19-33(11)27(16-14-23(3)4)21-34(20-18-25(7)8)32(38)40-28(17-15-24(5)6)35(34,39)31(37)29(33)30(36)26(9)10/h13-15,17-18,26-27,29,39H,12,16,19-21H2,1-11H3/b28-17+/t27-,29+,33+,34+,35-/m0/s1
InChIKey XBGZRZXXOYEEAU-IPAIHEIXSA-N
Mol Weight 552.8 g/mol
Molecular Formula C35H52O5
Exact Mass 552.381475 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KNSYVY6AGoi
Name (3E,3aS,5R,6R,7S,8aS)-3a-hydroxy-5-isobutyryl-6-methyl-7,8a-bis(3-methylbut-2-enyl)-3-(3-methylbut-2-enylidene)-6-(4-methylpent-3-enyl)-7,8-dihydro-5H-cyclohepta[c]furan-1,4-quinone
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H52O5
InChI InChI=1S/C35H52O5/c1-22(2)13-12-19-33(11)27(16-14-23(3)4)21-34(20-18-25(7)8)32(38)40-28(17-15-24(5)6)35(34,39)31(37)29(33)30(36)26(9)10/h13-15,17-18,26-27,29,39H,12,16,19-21H2,1-11H3/b28-17+/t27-,29+,33+,34+,35-/m0/s1
InChIKey XBGZRZXXOYEEAU-IPAIHEIXSA-N
Literature Reference Author L.VEROTTA,E.LOVAGLIO,O.STERNER,G.APPENDINO,E.BOMBARDELLI
Literature Reference Citation J.ORG.CHEM.,69,7869(2004)
Literature Reference DOI 10.1021/jo048857s
Molecular Weight 552.795 g/mol
Solvent CDCl3
Source File Reference UWVN22728