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ATROVIRINONE;2-(1-METHOXYCARBONYL-4,6-DIHYDROXYPHENOXY)-3-METHOXY-5,6-DI-(3-METHYL-2-BUTENYL)-1,4-BENZOQUINONE
SpectraBase Compound ID ECoMqhEl8I6
InChI InChI=1S/C25H28O8/c1-13(2)7-9-16-17(10-8-14(3)4)22(29)24(23(31-5)21(16)28)33-19-12-15(26)11-18(27)20(19)25(30)32-6/h7-8,11-12,26-27H,9-10H2,1-6H3
InChIKey AATISISCRVORPT-UHFFFAOYSA-N
Mol Weight 456.49 g/mol
Molecular Formula C25H28O8
Exact Mass 456.178418 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H2Klt45MgBr
Name ATROVIRINONE;2-(1-METHOXYCARBONYL-4,6-DIHYDROXYPHENOXY)-3-METHOXY-5,6-DI-(3-METHYL-2-BUTENYL)-1,4-BENZOQUINONE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H28O8
InChI InChI=1S/C25H28O8/c1-13(2)7-9-16-17(10-8-14(3)4)22(29)24(23(31-5)21(16)28)33-19-12-15(26)11-18(27)20(19)25(30)32-6/h7-8,11-12,26-27H,9-10H2,1-6H3
InChIKey AATISISCRVORPT-UHFFFAOYSA-N
Literature Reference Author D.PERMANA,N.H.LAJIS,M.M.MACKEEN,A.M.ALI,N.AIMI,M.KITAJIMA,H. TAKAYAMA
Literature Reference Citation J.NAT.PROD.,64,976(2001)
Literature Reference DOI 10.1021/np000563o
Molecular Weight 456.493 g/mol
Solvent CDCl3