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#1;FEBRIFUQUINONE;1-(6-[(E)-3,7-DIMETHYLOCTA-2,6-DIENYLOXY]-1,2,3,4-TETRAHYDRO-3,8,9-TRIHYDROXY-3-METHYL-1-OXOANTHRACEN-4-YL)-4,5,7-TRIHYDROXY-2-METHYLANTHRACE
SpectraBase Compound ID 43w1bqI8EZn
InChI InChI=1S/C40H38O10/c1-18(2)7-6-8-19(3)9-10-50-23-12-21-13-24-32(38(47)31(21)28(44)16-23)29(45)17-40(5,49)36(24)30-20(4)11-26(42)34-35(30)37(46)25-14-22(41)15-27(43)33(25)39(34)48/h7,9,11-16,36,41-44,47,49H,6,8,10,17H2,1-5H3/b19-9+
InChIKey DEIAURZCOQHYNK-DJKKODMXSA-N
Mol Weight 678.7 g/mol
Molecular Formula C40H38O10
Exact Mass 678.246497 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3zVsJoJ9mcb
Name #1;FEBRIFUQUINONE;1-(6-[(E)-3,7-DIMETHYLOCTA-2,6-DIENYLOXY]-1,2,3,4-TETRAHYDRO-3,8,9-TRIHYDROXY-3-METHYL-1-OXOANTHRACEN-4-YL)-4,5,7-TRIHYDROXY-2-METHYLANTHRACE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H38O10
InChI InChI=1S/C40H38O10/c1-18(2)7-6-8-19(3)9-10-50-23-12-21-13-24-32(38(47)31(21)28(44)16-23)29(45)17-40(5,49)36(24)30-20(4)11-26(42)34-35(30)37(46)25-14-22(41)15-27(43)33(25)39(34)48/h7,9,11-16,36,41-44,47,49H,6,8,10,17H2,1-5H3/b19-9+
InChIKey DEIAURZCOQHYNK-DJKKODMXSA-N
Literature Reference Author M.TSAFFACK,J.R.NGUEMEVING,V.KUETE,B.L.S.N.TCHIZE,P.MKOUNGA,V .P.BENG,P.G.HULTIN,E
Literature Reference Citation CHEM.PHARM.BULL.,57,1113(2009)
Literature Reference DOI 10.1248/cpb.57.1113
Molecular Weight 678.736 g/mol
Sample ID 2943
Solvent DMSO-D6