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LAURENQUINONE-A;1,3,8-TRIHYDROXY-2-(3,3-DIMETHYLALLYL)-6-METHYLANTHRAQUINONE-7-CARBOXYLIC-ACID-METHYLESTER
SpectraBase Compound ID BamWvLfzvVs
InChI InChI=1S/C22H20O7/c1-9(2)5-6-11-14(23)8-13-16(19(11)25)21(27)17-12(18(13)24)7-10(3)15(20(17)26)22(28)29-4/h5,7-8,23,25-26H,6H2,1-4H3
InChIKey VHXGADCMKFUNJN-UHFFFAOYSA-N
Mol Weight 396.4 g/mol
Molecular Formula C22H20O7
Exact Mass 396.120903 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2ueCgYYaEzF
Name LAURENQUINONE-A;1,3,8-TRIHYDROXY-2-(3,3-DIMETHYLALLYL)-6-METHYLANTHRAQUINONE-7-CARBOXYLIC-ACID-METHYLESTER
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H20O7
InChI InChI=1S/C22H20O7/c1-9(2)5-6-11-14(23)8-13-16(19(11)25)21(27)17-12(18(13)24)7-10(3)15(20(17)26)22(28)29-4/h5,7-8,23,25-26H,6H2,1-4H3
InChIKey VHXGADCMKFUNJN-UHFFFAOYSA-N
Literature Reference Author H.K.WABO,S.F.KOUAM,K.KROHN,H.HUSSAIN,M.F.TALA,P.TANE,T.V.REE ,Q.HU,B.SCHULZ
Literature Reference Citation CHEM.PHARM.BULL.,55,1640(2007)
Literature Reference DOI 10.1248/cpb.55.1640
Molecular Weight 396.397 g/mol
Sample ID 56255
Solvent CDCl3:CD3OD