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ANTIMYCIN-A1B
SpectraBase Compound ID JMYjtB0qDs4
InChI InChI=1S/C28H40N2O9/c1-6-7-8-9-11-20-25(39-22(32)14-16(2)3)18(5)38-28(36)23(17(4)37-27(20)35)30-26(34)19-12-10-13-21(24(19)33)29-15-31/h10,12-13,15-18,20,23,25,33H,6-9,11,14H2,1-5H3,(H,29,31)(H,30,34)/t17-,18+,20-,23+,25+/m1/s1
InChIKey UIFFUZWRFRDZJC-SBOOETFBSA-N
Mol Weight 548.6 g/mol
Molecular Formula C28H40N2O9
Exact Mass 548.273381 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6rKHJufIrYr
Name ANTIMYCIN-A1B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H40N2O9
InChI InChI=1S/C28H40N2O9/c1-6-7-8-9-11-20-25(39-22(32)14-16(2)3)18(5)38-28(36)23(17(4)37-27(20)35)30-26(34)19-12-10-13-21(24(19)33)29-15-31/h10,12-13,15-18,20,23,25,33H,6-9,11,14H2,1-5H3,(H,29,31)(H,30,34)/t17-,18+,20-,23+,25+/m1/s1
InChIKey UIFFUZWRFRDZJC-SBOOETFBSA-N
Literature Reference Author C.J.BARROW,J.J.OLEYNEK,V.MARINELLI,H.H.SUN,P.KAPLITA,D.M.SED LOCK,A.M.GILLUM,C.C.
Literature Reference Citation J.ANTIBIOTICS,50,729(1997)
Literature Reference DOI 10.7164/antibiotics.50.729
Molecular Weight 548.634 g/mol
Solvent CDCl3
Source File Reference UWCS24920