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ALISIAQUINONE_A;FORM_B

View entire compound with spectra: 1 NMR

ALISIAQUINONE_A;FORM_B
SpectraBase Compound ID C61fecCYbaZ
InChI InChI=1S/C21H20O5/c1-20(10-22)6-3-7-21(2)14-9-12-11(15(23)4-5-16(12)24)8-13(14)17(25)18(26)19(20)21/h4-5,8-9,19,22H,3,6-7,10H2,1-2H3/t19-,20-,21-/m1/s1
InChIKey VMLCEDXYBPNXMT-NJDAHSKKSA-N
Mol Weight 352.39 g/mol
Molecular Formula C21H20O5
Exact Mass 352.131074 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IFuGJ5LKM80
Name ALISIAQUINONE_A;FORM_B
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H20O5
InChI InChI=1S/C21H20O5/c1-20(10-22)6-3-7-21(2)14-9-12-11(15(23)4-5-16(12)24)8-13(14)17(25)18(26)19(20)21/h4-5,8-9,19,22H,3,6-7,10H2,1-2H3/t19-,20-,21-/m1/s1
InChIKey VMLCEDXYBPNXMT-NJDAHSKKSA-N
Literature Reference Author D.DESOUBZDANNE,L.MARCOURT,R.RAUX,S.CHEVALLY,D.DORIN,C.DOERIG ,A.VALENTIN,F.AUSSEI
Literature Reference Citation J.NAT.PROD.,71,1189(2008)
Literature Reference DOI 10.1021/np8000909
Molecular Weight 352.387 g/mol
Sample ID 28677
Solvent CDCl3