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(7S,9S)-9-acetyl-6,9,11-trihydroxy-7-[(2R,4S,5S,6S)-5-hydroxy-4-[[2-(6-hydroxyhexylamino)-3,4-diketo-1-cyclobutenyl]amino]-6-methyl-tetrahydropyran-2-yl]oxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-quinone

Compound with spectra: 1 NMR

(7S,9S)-9-acetyl-6,9,11-trihydroxy-7-[(2R,4S,5S,6S)-5-hydroxy-4-[[2-(6-hydroxyhexylamino)-3,4-diketo-1-cyclobutenyl]amino]-6-methyl-tetrahydropyran-2-yl]oxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-quinone
SpectraBase Compound ID FSIPOeP1y4v
InChI InChI=1S/C37H42N2O13/c1-16-30(42)20(39-29-28(35(47)36(29)48)38-11-6-4-5-7-12-40)13-23(51-16)52-22-15-37(49,17(2)41)14-19-25(22)34(46)27-26(32(19)44)31(43)18-9-8-10-21(50-3)24(18)33(27)45/h8-10,16,20,22-23,30,38-40,42,44,46,49H,4-7,11-15H2,1-3H3/t16-,20-,22-,23-,30+,37-/m0/s1
InChIKey MVWUFYAVJCDLGV-IOVMNQAPSA-N
Mol Weight 722.7 g/mol
Molecular Formula C37H42N2O13
Exact Mass 722.268689 g/mol
Enantiomer InChIKey MVWUFYAVJCDLGV-AVMHXXSUSA-N

View Spectrum of (7S,9S)-9-acetyl-6,9,11-trihydroxy-7-[(2R,4S,5S,6S)-5-hydroxy-4-[[2-(6-hydroxyhexylamino)-3,4-diketo-1-cyclobutenyl]amino]-6-methyl-tetrahydropyran-2-yl]oxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-quinone

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6
Title Journal or Book Year
A New Class of Semisynthetic Anthracycline Glycoside Antibiotics Incorporating a Squaric Acid Moiety The Journal of Antibiotics 2005
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