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acetic acid [(3S,3aS,5aR,6S,9aS,9bS)-2-keto-3,5a-dimethyl-9-methylene-3a,4,5,6,9a,9b-hexahydro-3H-selenopyrano[3,4-g]benzofuran-6-yl]methyl ester

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acetic acid [(3S,3aS,5aR,6S,9aS,9bS)-2-keto-3,5a-dimethyl-9-methylene-3a,4,5,6,9a,9b-hexahydro-3H-selenopyrano[3,4-g]benzofuran-6-yl]methyl ester
SpectraBase Compound ID 78hvIR2Rl2I
InChI InChI=1S/C17H24O4Se/c1-9-8-22-13(7-20-11(3)18)17(4)6-5-12-10(2)16(19)21-15(12)14(9)17/h10,12-15H,1,5-8H2,2-4H3/t10-,12-,13+,14+,15-,17-/m0/s1
InChIKey SRLQRGKIWWPURH-YSZIICFESA-N
Mol Weight 371.35 g/mol
Molecular Formula C17H24O4Se
Exact Mass 372.083981 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JLIMJLntkC0
Name acetic acid [(3S,3aS,5aR,6S,9aS,9bS)-2-keto-3,5a-dimethyl-9-methylene-3a,4,5,6,9a,9b-hexahydro-3H-selenopyrano[3,4-g]benzofuran-6-yl]methyl ester
Compound Number 20
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H24O4Se
InChI InChI=1S/C17H24O4Se/c1-9-8-22-13(7-20-11(3)18)17(4)6-5-12-10(2)16(19)21-15(12)14(9)17/h10,12-15H,1,5-8H2,2-4H3/t10-,12-,13+,14+,15-,17-/m0/s1
InChIKey SRLQRGKIWWPURH-YSZIICFESA-N
Literature Reference Author A.F.BARRERO,J.E.OLTRA,M.ALVAREZ,A.ROSALES
Literature Reference Citation J.ORG.CHEM.,67,5461(2002)
Literature Reference DOI 10.1021/jo0256538
Molecular Weight 371.335 g/mol
Solvent CDCl3
Source File Reference UWSI21866