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MXKAGZARUPDOQA-LBDJMBRASA-N
SpectraBase Compound ID CbNoLwNDdJr
InChI InChI=1S/C45H78N2O15/c1-26(2)22-35(51)60-43-30(6)57-37(25-45(43,8)54)61-40-29(5)58-44(39(53)38(40)47(9)10)62-41-32(18-20-46-19-15-21-48)23-27(3)33(50)17-14-12-13-16-28(4)56-36(52)24-34(42(41)55-11)59-31(7)49/h12-14,17,26-30,32-34,37-44,46,48,50,53-54H,15-16,18-25H2,1-11H3/b13-12+,17-14+/t27-,28-,29-,30+,32+,33+,34-,37+,38-,39-,40-,41+,42+,43+,44+,45-/m1/s1
InChIKey MXKAGZARUPDOQA-LBDJMBRASA-N
Mol Weight 887.1 g/mol
Molecular Formula C45H78N2O15
Exact Mass 886.54022 g/mol
Enantiomer InChIKey MXKAGZARUPDOQA-NNSWOEDYSA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6
Title Journal or Book Year
Structure elucidation, complete NMR assignment and PM5 theoretical studies of new hydroxy-aminoalkyl-α,β-unsaturated derivatives of the macrolide antibiotic josamycin Magnetic Resonance in Chemistry 2010

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