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6-O-ALLYLERYTHROMYCIN_A_9-(E)-OXIME
SpectraBase Compound ID BeReRGsRZLh
InChI InChI=1S/C40H72N2O13/c1-15-17-50-39(10)19-21(3)30(41-48)23(5)33(44)40(11,47)28(16-2)53-36(46)25(7)32(54-29-20-38(9,49-14)34(45)26(8)52-29)24(6)35(39)55-37-31(43)27(42(12)13)18-22(4)51-37/h15,21-29,31-35,37,43-45,47-48H,1,16-20H2,2-14H3/b41-30+
InChIKey JLBWXCAVBMJOCW-AETRBLLXSA-N
Mol Weight 789.0 g/mol
Molecular Formula C40H72N2O13
Exact Mass 788.50344 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7UnLMFgi5qC
Name 6-O-ALLYL3-O-DESCLADINOSYL_9-(E)-OXIME
Compound Number 20
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H71N2O13
InChI InChI=1S/C40H72N2O13/c1-15-17-50-39(10)19-21(3)30(41-48)23(5)33(44)40(11,47)28(16-2)53-36(46)25(7)32(54-29-20-38(9,49-14)34(45)26(8)52-29)24(6)35(39)55-37-31(43)27(42(12)13)18-22(4)51-37/h15,21-29,31-35,37,43-45,47-48H,1,16-20H2,2-14H3/b41-30+
InChIKey JLBWXCAVBMJOCW-AETRBLLXSA-N
Literature Reference Author D.PAVLOVIC,S.MUTAK
Literature Reference Citation J.MED.CHEM.,53,5868(2010)
Literature Reference DOI 10.1021/jm100711p
Molecular Weight 788.009 g/mol
Solvent CD3OD
Source File Reference UWMZ47430