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10-HYDROXY-18-METHOXYLBETAENONE
SpectraBase Compound ID 2s96Wx4r8iW
InChI InChI=1S/C22H36O6/c1-8-13(2)16-20(5,15(23)9-10-28-7)17-14(3)11-19(4,25)12-22(17,27)18(24)21(16,6)26/h9-10,13-14,16-17,25-27H,8,11-12H2,1-7H3/b10-9+/t13?,14-,16-,17-,19-,20-,21+,22-/m1/s1
InChIKey ONZDNBGTAVEQQN-FJXLOMMUSA-N
Mol Weight 396.5 g/mol
Molecular Formula C22H36O6
Exact Mass 396.251189 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FYSAiUI6gkS
Name 10-HYDROXY-18-METHOXYLBETAENONE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H36O6
InChI InChI=1S/C22H36O6/c1-8-13(2)16-20(5,15(23)9-10-28-7)17-14(3)11-19(4,25)12-22(17,27)18(24)21(16,6)26/h9-10,13-14,16-17,25-27H,8,11-12H2,1-7H3/b10-9+/t13?,14-,16-,17-,19-,20-,21+,22-/m1/s1
InChIKey ONZDNBGTAVEQQN-FJXLOMMUSA-N
Literature Reference Author G.BRAUERS,R.A.EDRADA,R.EBEL,P.PROKSCH,V.WRAY,A.BERG,U.GRAEFE ,C.SCHAECHTELE,F.TOT
Literature Reference Citation J.NAT.PROD.,63,739(2000)
Literature Reference DOI 10.1021/np9905259
Molecular Weight 396.524 g/mol
Solvent CD3OD
Source File Reference UWRU8209