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JOSAMYCIN
SpectraBase Compound ID 3lMPAXw8CGu
InChI InChI=1S/C42H69NO15/c1-23(2)19-32(47)56-40-27(6)53-34(22-42(40,8)50)57-37-26(5)54-41(36(49)35(37)43(9)10)58-38-29(17-18-44)20-24(3)30(46)16-14-12-13-15-25(4)52-33(48)21-31(39(38)51-11)55-28(7)45/h12-14,16,18,23-27,29-31,34-41,46,49-50H,15,17,19-22H2,1-11H3/b13-12+,16-14+/t24-,25-,26+,27+,29+,30+,31-,34-,35+,36+,37+,38?,39?,40-,41-,42+/m1/s1
InChIKey XJSFLOJWULLJQS-XNOCAUCISA-N
Mol Weight 828.0 g/mol
Molecular Formula C42H69NO15
Exact Mass 827.466721 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Lvh9sEZjb8c
Name JOSAMYCIN
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H69NO15
InChI InChI=1S/C42H69NO15/c1-23(2)19-32(47)56-40-27(6)53-34(22-42(40,8)50)57-37-26(5)54-41(36(49)35(37)43(9)10)58-38-29(17-18-44)20-24(3)30(46)16-14-12-13-15-25(4)52-33(48)21-31(39(38)51-11)55-28(7)45/h12-14,16,18,23-27,29-31,34-41,46,49-50H,15,17,19-22H2,1-11H3/b13-12+,16-14+/t24-,25-,26+,27+,29+,30+,31-,34-,35+,36+,37+,38?,39?,40-,41-,42+/m1/s1
InChIKey XJSFLOJWULLJQS-XNOCAUCISA-N
Literature Reference Author J.GHARBI-BENAROUS,N.EVRARD-TODESCHI,P.LADAM,G.BERTHO,M.DELAF ORGE,J.P.GIRAULT
Literature Reference Citation J.CHEM.SOC.PERKIN-2,529(1999)
Literature Reference DOI 10.1039/a808309f
Molecular Weight 828.008 g/mol
Solvent D2O;PH=7.6;0.5MM
Source File Reference UWRU10292