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(7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-[[3,4-diketo-2-[(4-phenylbenzyl)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-[(4-phenylbenzyl)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 6dHGdprABpY
InChI InChI=1S/C44H40N2O12/c1-20-37(48)27(46-36-35(42(53)43(36)54)45-19-22-12-14-24(15-13-22)23-8-5-4-6-9-23)16-30(57-20)58-29-18-44(55,21(2)47)17-26-32(29)41(52)34-33(39(26)50)38(49)25-10-7-11-28(56-3)31(25)40(34)51/h4-15,20,27,29-30,37,45-46,48,50,52,55H,16-19H2,1-3H3/t20-,27-,29-,30-,37+,44-/m0/s1
InChIKey IRZNWRZMHAYUAW-BBKRLBNASA-N
Mol Weight 788.8 g/mol
Molecular Formula C44H40N2O12
Exact Mass 788.258125 g/mol
Enantiomer InChIKey IRZNWRZMHAYUAW-CENVWQTESA-N

View Spectrum of (7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-[[3,4-diketo-2-[(4-phenylbenzyl)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
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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