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RIP-TAP
SpectraBase Compound ID JMo7hECIsbL
InChI InChI=1S/C48H67N4O19P/c1-22-12-11-13-23(2)46(61)50-35-29(20-49-52-17-15-51(9)16-18-52)38(56)32-33(40(35)58)37(55)26(5)44-34(32)45(60)48(8,71-44)66-19-14-30(65-10)24(3)42(68-28(7)53)27(6)43(25(4)36(22)54)70-47-41(59)39(57)31(69-47)21-67-72(62,63)64/h11-14,19-20,22,24-25,27,30-31,36,39,41-43,47,54-59H,15-18,21H2,1-10H3,(H,50,61)(H2,62,63,64)/b12-11+,19-14+,23-13-,49-20+/t22?,24?,25?,27?,30?,31-,36?,39-,41-,42?,43?,47-,48?/m0/s1
InChIKey AWTUDQJMIQBERX-GQVCFNIBSA-N
Mol Weight 1035.0 g/mol
Molecular Formula C48H67N4O19P
Exact Mass 1034.413713 g/mol
Enantiomer InChIKey AWTUDQJMIQBERX-XURACIDPSA-N
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CD3OD
Title Journal or Book Year
Structures of ADP-Ribosylated Rifampicin and Its Metabolite: Intermediates of Rifampicin-ribosylation by Mycobacterium smegmatis DSM43756. The Journal of Antibiotics 2000

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