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BUSSEIHYDROQUINONE_D;RAC-(7'-E)-1-HYDROXY-4-METHOXY-3'A-METHOXY-2'-[1-METHYL-2-OXOETHYLIDENE]-7A,8,1',2'-TETRAHYDRO-7-OXA-CYCLOPENTA-[B]
SpectraBase Compound ID 3Y4NmrovcrT
InChI InChI=1S/C22H20O6/c1-11(10-23)12-6-7-22(2)16(12)8-14-17(28-22)5-4-13-19(14)18(27-3)9-15(20(13)24)21(25)26/h4-5,8-10,24H,6-7H2,1-3H3,(H,25,26)/b12-11+
InChIKey ZSKLSJMYNRFZJZ-VAWYXSNFSA-N
Mol Weight 380.4 g/mol
Molecular Formula C22H20O6
Exact Mass 380.125988 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 39DTrPtu1zp
Name BUSSEIHYDROQUINONE_D;RAC-(7'-E)-1-HYDROXY-4-METHOXY-3'A-METHOXY-2'-[1-METHYL-2-OXOETHYLIDENE]-7A,8,1',2'-TETRAHYDRO-7-OXA-CYCLOPENTA-[B]
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H20O6
InChI InChI=1S/C22H20O6/c1-11(10-23)12-6-7-22(2)16(12)8-14-17(28-22)5-4-13-19(14)18(27-3)9-15(20(13)24)21(25)26/h4-5,8-10,24H,6-7H2,1-3H3,(H,25,26)/b12-11+
InChIKey ZSKLSJMYNRFZJZ-VAWYXSNFSA-N
Literature Reference Author M.ENDALE,A.EKBERG,H.M.AKALA,J.P.ALAO,P.SUNNERHAGEN,A.YENESEW ,M.ERDELYI
Literature Reference Citation J.NAT.PROD.,75,1299(2012)
Literature Reference DOI 10.1021/np3002223
Molecular Weight 380.397 g/mol
Sample ID 41253
Solvent DMSO-D6