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METHYL-(4E,1'S*,3R*,3AR*,5R*,6AS*)-5-METHYL-2-OXO-4-(1',3',3'-TRIMETHYLCYCLOHEXYLMETHYLENE)-HEXAHYDROFURO-[2,3-B]-FURAN-3-ACETATE;APLYTANGENE-2

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METHYL-(4E,1'S*,3R*,3AR*,5R*,6AS*)-5-METHYL-2-OXO-4-(1',3',3'-TRIMETHYLCYCLOHEXYLMETHYLENE)-HEXAHYDROFURO-[2,3-B]-FURAN-3-ACETATE;APLYTANGENE-2
SpectraBase Compound ID GnPR7JOb06U
InChI InChI=1S/C20H30O5/c1-12-14(10-20(4)8-6-7-19(2,3)11-20)16-13(9-15(21)23-5)17(22)25-18(16)24-12/h10,12-13,16,18H,6-9,11H2,1-5H3/b14-10+/t12-,13-,16-,18+,20+/m0/s1
InChIKey NBWPFZAKGLLNHV-FGWWKPEYSA-N
Mol Weight 350.46 g/mol
Molecular Formula C20H30O5
Exact Mass 350.209324 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9QCKBi0CcoU
Name METHYL-(4E,1'S*,3R*,3AR*,5R*,6AS*)-5-METHYL-2-OXO-4-(1',3',3'-TRIMETHYLCYCLOHEXYLMETHYLENE)-HEXAHYDROFURO-[2,3-B]-FURAN-3-ACETATE;APLYTANGENE-2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H30O5
InChI InChI=1S/C20H30O5/c1-12-14(10-20(4)8-6-7-19(2,3)11-20)16-13(9-15(21)23-5)17(22)25-18(16)24-12/h10,12-13,16,18H,6-9,11H2,1-5H3/b14-10+/t12-,13-,16-,18+,20+/m0/s1
InChIKey NBWPFZAKGLLNHV-FGWWKPEYSA-N
Literature Reference Author A.POINER,W.C.TAYLOR
Literature Reference Citation AUSTR.J.CHEM.,43,1713(1990)
Literature Reference DOI 10.1071/CH9901713
Molecular Weight 350.455 g/mol
Solvent CDCl3:C6D6=3:2
Source File Reference UWED9553