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(Z)-2-methylbut-2-enoic acid [(3S,3aR,4S,9aR,9bS)-3-hydroxy-2,7-diketo-3,6,9-trimethyl-4,5,9a,9b-tetrahydro-3aH-azuleno[5,4-d]furan-4-yl] ester

View entire compound with spectra: 1 NMR

(Z)-2-methylbut-2-enoic acid [(3S,3aR,4S,9aR,9bS)-3-hydroxy-2,7-diketo-3,6,9-trimethyl-4,5,9a,9b-tetrahydro-3aH-azuleno[5,4-d]furan-4-yl] ester
SpectraBase Compound ID HFZi6uYt7eW
InChI InChI=1S/C20H24O6/c1-6-9(2)18(22)25-13-8-11(4)14-12(21)7-10(3)15(14)17-16(13)20(5,24)19(23)26-17/h6-7,13,15-17,24H,8H2,1-5H3/b9-6-/t13-,15+,16+,17-,20-/m0/s1
InChIKey FRGAPYHVPJHJFF-BJBBNPAJSA-N
Mol Weight 360.41 g/mol
Molecular Formula C20H24O6
Exact Mass 360.157288 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CpooIw73Ri6
Name (Z)-2-methylbut-2-enoic acid [(3S,3aR,4S,9aR,9bS)-3-hydroxy-2,7-diketo-3,6,9-trimethyl-4,5,9a,9b-tetrahydro-3aH-azuleno[5,4-d]furan-4-yl] ester
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H24O6
InChI InChI=1S/C20H24O6/c1-6-9(2)18(22)25-13-8-11(4)14-12(21)7-10(3)15(14)17-16(13)20(5,24)19(23)26-17/h6-7,13,15-17,24H,8H2,1-5H3/b9-6-/t13-,15+,16+,17-,20-/m0/s1
InChIKey FRGAPYHVPJHJFF-BJBBNPAJSA-N
Literature Reference Author K.SUZUKI,M.OKASAKA,Y.KASHIWADA,Y.TAKAISHI,G.HONDA,M.ITO,Y.TA KEDA,O.K.KODZHIMATOV
Literature Reference Citation J.NAT.PROD.,70,1915(2007)
Literature Reference DOI 10.1021/np0703996
Molecular Weight 360.407 g/mol
Sample ID 31177
Solvent CDCl3