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(7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-[(3,4-diketo-2-morpholino-1-cyclobutenyl)amino]-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-quinone
SpectraBase Compound ID 1TeVEOjwJpX
InChI InChI=1S/C35H36N2O13/c1-14-28(39)18(36-26-27(34(45)33(26)44)37-7-9-48-10-8-37)11-21(49-14)50-20-13-35(46,15(2)38)12-17-23(20)32(43)25-24(30(17)41)29(40)16-5-4-6-19(47-3)22(16)31(25)42/h4-6,14,18,20-21,28,36,39,41,43,46H,7-13H2,1-3H3/t14-,18-,20-,21-,28+,35-/m0/s1
InChIKey QJXASRKXFMELEZ-BVMUAYFJSA-N
Mol Weight 692.7 g/mol
Molecular Formula C35H36N2O13
Exact Mass 692.221739 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BGg297GtNwV
Name (7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-[(3,4-diketo-2-morpholino-1-cyclobutenyl)amino]-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-quinone
Compound Number 32
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H36N2O13
InChI InChI=1S/C35H36N2O13/c1-14-28(39)18(36-26-27(34(45)33(26)44)37-7-9-48-10-8-37)11-21(49-14)50-20-13-35(46,15(2)38)12-17-23(20)32(43)25-24(30(17)41)29(40)16-5-4-6-19(47-3)22(16)31(25)42/h4-6,14,18,20-21,28,36,39,41,43,46H,7-13H2,1-3H3/t14-,18-,20-,21-,28+,35-/m0/s1
InChIKey QJXASRKXFMELEZ-BVMUAYFJSA-N
Literature Reference Author F.SZTARICSKAI,A.SUM,E.ROTH,I.F.PELYVAS,S.SANDOR,G.BATTA,P.HE RCZEGH,J.REMENYI,Z.M
Literature Reference Citation J.ANTIBIOTICS,58,704(2005)
Literature Reference DOI 10.1038/ja.2005.96
Molecular Weight 692.676 g/mol
Solvent CD3OD
Source File Reference UWMB438