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(Z)-2-methylbut-2-enoic acid [(3R,3aR,5aS,6R,9aR,9bS)-3-hydroxy-2-keto-3,5a-dimethyl-9-methylene-3a,4,5,6,9a,9b-hexahydrobenzo[g]benzofuran-6-yl] ester

View entire compound with spectra: 1 NMR

(Z)-2-methylbut-2-enoic acid [(3R,3aR,5aS,6R,9aR,9bS)-3-hydroxy-2-keto-3,5a-dimethyl-9-methylene-3a,4,5,6,9a,9b-hexahydrobenzo[g]benzofuran-6-yl] ester
SpectraBase Compound ID IztU64WWPwW
InChI InChI=1S/C20H26O5/c1-6-11(2)17(21)24-14-8-7-12(3)15-16-13(9-10-19(14,15)4)20(5,23)18(22)25-16/h6-8,13-16,23H,3,9-10H2,1-2,4-5H3/b11-6-/t13-,14-,15+,16-,19-,20-/m1/s1
InChIKey OBOBZPIEGNNVAR-RXXPPGFVSA-N
Mol Weight 346.42 g/mol
Molecular Formula C20H26O5
Exact Mass 346.178024 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G76rA4FRQlV
Name (Z)-2-methylbut-2-enoic acid [(3R,3aR,5aS,6R,9aR,9bS)-3-hydroxy-2-keto-3,5a-dimethyl-9-methylene-3a,4,5,6,9a,9b-hexahydrobenzo[g]benzofuran-6-yl] ester
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H26O5
InChI InChI=1S/C20H26O5/c1-6-11(2)17(21)24-14-8-7-12(3)15-16-13(9-10-19(14,15)4)20(5,23)18(22)25-16/h6-8,13-16,23H,3,9-10H2,1-2,4-5H3/b11-6-/t13-,14-,15+,16-,19-,20-/m1/s1
InChIKey OBOBZPIEGNNVAR-RXXPPGFVSA-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 346.423 g/mol
Sample ID 31172
Solvent CDCl3