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EPICOCCONONE;5,6-DIHYDRO-3-[(1Z,4E,6E,8E)-1-HYDROXY-3-OXO-1,4,6,8-DECATETRAENYL]-6-HYDROXYMETHYL-9A-METHYL-2H-FURO-[3,2-G]-[2]-BENZOPYRAN-2-9(9AH)-DIONE
SpectraBase Compound ID 6CE3cwaZJvQ
InChI InChI=1S/C23H22O7/c1-4-5-6-7-8-9-15(24)12-18(25)20-17-10-14-11-19(28-3)29-13-16(14)21(26)23(17,2)30-22(20)27/h4-10,12-13,19,25H,11H2,1-3H3/b5-4+,7-6+,9-8+,18-12-/t19-,23-/m0/s1
InChIKey GMJHSSVZMYGAHT-FHSNSLEUSA-N
Mol Weight 410.42 g/mol
Molecular Formula C23H22O7
Exact Mass 410.136553 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DGpMTyhmYqR
Name EPICOCCONONE;5,6-DIHYDRO-3-[(1Z,4E,6E,8E)-1-HYDROXY-3-OXO-1,4,6,8-DECATETRAENYL]-6-HYDROXYMETHYL-9A-METHYL-2H-FURO-[3,2-G]-[2]-BENZOPYRAN-2-9(9AH)-DIONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H22O7
InChI InChI=1S/C23H22O7/c1-4-5-6-7-8-9-15(24)12-18(25)20-17-10-14-11-19(28-3)29-13-16(14)21(26)23(17,2)30-22(20)27/h4-10,12-13,19,25H,11H2,1-3H3/b5-4+,7-6+,9-8+,18-12-/t19-,23-/m0/s1
InChIKey GMJHSSVZMYGAHT-FHSNSLEUSA-N
Literature Reference Author P.J.L.BELL,P.KARUSO
Literature Reference Citation J.AM.CHEM.SOC.,125,9304(2003)
Literature Reference DOI 10.1021/ja035496+
Molecular Weight 410.423 g/mol
Sample ID 41941
Solvent CDCl3