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4-ALPHA-ACETOXYCADINA-2,9-DIENE-1,8-DIONE
SpectraBase Compound ID I3ADWiOhBia
InChI InChI=1S/C17H22O4/c1-8(2)12-7-13(19)10(4)15-14(20)6-9(3)17(16(12)15)21-11(5)18/h6,8,12,16-17H,7H2,1-5H3/t12-,16-,17+/m0/s1
InChIKey IMPYLWTUBJWLNC-AFAVFJNCSA-N
Mol Weight 290.36 g/mol
Molecular Formula C17H22O4
Exact Mass 290.151809 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DAydzWmjpNU
Name 4-ALPHA-ACETOXYCADINA-2,9-DIENE-1,8-DIONE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H22O4
InChI InChI=1S/C17H22O4/c1-8(2)12-7-13(19)10(4)15-14(20)6-9(3)17(16(12)15)21-11(5)18/h6,8,12,16-17H,7H2,1-5H3/t12-,16-,17+/m0/s1
InChIKey IMPYLWTUBJWLNC-AFAVFJNCSA-N
Literature Reference Author S.K.SADHU,M.TAMAKI,T.OHTSUKI,K.TOUME,T.KOYANO,T.KOWITHAYAKOR N,M.ISHIBASHI
Literature Reference Citation J.NAT.PROD.,72,782(2009)
Literature Reference DOI 10.1021/np800709k
Molecular Weight 290.359 g/mol
Sample ID 32497
Solvent CDCl3