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3,7-DI-O-ACETYLCOCHINCHINONE_A
SpectraBase Compound ID I6QhkwiFbKm
InChI InChI=1S/C32H36O7/c1-18(2)9-8-10-20(5)12-15-25-31(38-22(7)34)24(14-11-19(3)4)29(35)28-30(36)26-17-23(37-21(6)33)13-16-27(26)39-32(25)28/h9,11-13,16-17,35H,8,10,14-15H2,1-7H3/b20-12+
InChIKey PKXJDDMCXDGNNA-UDWIEESQSA-N
Mol Weight 532.6 g/mol
Molecular Formula C32H36O7
Exact Mass 532.246103 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2ATTrIUKULp
Name 3,7-DI-O-ACETYLCOCHINCHINONE_A
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H36O7
InChI InChI=1S/C32H36O7/c1-18(2)9-8-10-20(5)12-15-25-31(38-22(7)34)24(14-11-19(3)4)29(35)28-30(36)26-17-23(37-21(6)33)13-16-27(26)39-32(25)28/h9,11-13,16-17,35H,8,10,14-15H2,1-7H3/b20-12+
InChIKey PKXJDDMCXDGNNA-UDWIEESQSA-N
Literature Reference Author Y.REN,S.MATTHEW,D.D.LANTVIT,T.N.NINH,H.CHAI,J.R.FUCHS,D.D.SO EJARTO,E.J.C.D.BLANC
Literature Reference Citation J.NAT.PROD.,74,1117(2011)
Literature Reference DOI 10.1021/np200051j
Molecular Weight 532.634 g/mol
Sample ID 38178
Solvent CDCl3