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7-O-METHYLCOCHINCHINONE_A

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7-O-METHYLCOCHINCHINONE_A
SpectraBase Compound ID AOlbi00R9S
InChI InChI=1S/C29H34O5/c1-17(2)8-7-9-19(5)11-14-22-26(30)21(13-10-18(3)4)27(31)25-28(32)23-16-20(33-6)12-15-24(23)34-29(22)25/h8,10-12,15-16,30-31H,7,9,13-14H2,1-6H3/b19-11+
InChIKey MIPRKJUEDRDLKR-YBFXNURJSA-N
Mol Weight 462.6 g/mol
Molecular Formula C29H34O5
Exact Mass 462.240624 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B7CoyThFeBs
Name 7-O-METHYLCOCHINCHINONE_A
Compound Number 17
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H34O5
InChI InChI=1S/C29H34O5/c1-17(2)8-7-9-19(5)11-14-22-26(30)21(13-10-18(3)4)27(31)25-28(32)23-16-20(33-6)12-15-24(23)34-29(22)25/h8,10-12,15-16,30-31H,7,9,13-14H2,1-6H3/b19-11+
InChIKey MIPRKJUEDRDLKR-YBFXNURJSA-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 462.586 g/mol
Sample ID 38179
Solvent CDCl3