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(7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-[[3,4-diketo-2-[[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-methylol-tetrahydropyran-3-yl]amino]-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 with spectra: 1 NMR

(7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-[[3,4-diketo-2-[[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-methylol-tetrahydropyran-3-yl]amino]-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 4nM7VTJpjY4
InChI InChI=1S/C37H40N2O17/c1-11-27(42)15(38-24-25(34(49)33(24)48)39-26-35(50)30(45)18(10-40)56-36(26)51)7-19(54-11)55-17-9-37(52,12(2)41)8-14-21(17)32(47)23-22(29(14)44)28(43)13-5-4-6-16(53-3)20(13)31(23)46/h4-6,11,15,17-19,26-27,30,35-36,38-40,42,44-45,47,50-52H,7-10H2,1-3H3/t11-,15-,17-,18+,19-,26+,27+,30+,35+,36?,37-/m0/s1
InChIKey RHMXFMADQBEXMA-WTAPPOCISA-N
Mol Weight 784.7 g/mol
Molecular Formula C37H40N2O17
Exact Mass 784.232698 g/mol
Enantiomer InChIKey RHMXFMADQBEXMA-REIJJZLJSA-N

View Spectrum of (7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-[[3,4-diketo-2-[[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-methylol-tetrahydropyran-3-yl]amino]-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

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6:CD3OD
RHMXFMADQBEXMA-WETAZZQBSA-N
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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