John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=91Bfct1je4m SpectraBase Spectrum ID=28v5QkNj5z9

(accessed ).
(2'S,3'R)-3'-DEDIMETHYLAMINO-2'-DEHYDROXY-2'-DIMETHYLAMINO-3'-HYDROXY-3',4''-DI-O-FORMYL-6-O-METHYLERYTHROMYCIN_A
SpectraBase Compound ID 91Bfct1je4m
InChI InChI=1S/C40H69NO15/c1-15-28-40(10,47)33(45)23(4)31(44)21(2)17-38(8,48-13)34(56-37-30(41(11)12)27(50-19-42)16-22(3)52-37)24(5)32(25(6)36(46)54-28)55-29-18-39(9,49-14)35(51-20-43)26(7)53-29/h19-30,32-35,37,45,47H,15-18H2,1-14H3/t21-,22-,23+,24-,25-,26+,27-,28-,29+,30+,32+,33+,34-,35+,37+,38-,39-,40-/m0/s1
InChIKey PIRFYUQLVGYMAW-UUZPKEQDSA-N
Mol Weight 804.0 g/mol
Molecular Formula C40H69NO15
Exact Mass 803.466721 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 28v5QkNj5z9
Name (2'S,3'R)-3'-DEDIMETHYLAMINO-2'-DEHYDROXY-2'-DIMETHYLAMINO-3'-HYDROXY-3',4''-DI-O-FORMYL-6-O-METHYLERYTHROMYCIN_A
Compound Number 3A
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H69NO15
InChI InChI=1S/C40H69NO15/c1-15-28-40(10,47)33(45)23(4)31(44)21(2)17-38(8,48-13)34(56-37-30(41(11)12)27(50-19-42)16-22(3)52-37)24(5)32(25(6)36(46)54-28)55-29-18-39(9,49-14)35(51-20-43)26(7)53-29/h19-30,32-35,37,45,47H,15-18H2,1-14H3/t21-,22-,23+,24-,25-,26+,27-,28-,29+,30+,32+,33+,34-,35+,37+,38-,39-,40-/m0/s1
InChIKey PIRFYUQLVGYMAW-UUZPKEQDSA-N
Literature Reference Author S.MORIMOTO,T.ADACHI,Y.WATANABE,S.OMURA
Literature Reference Citation HETEROCYCLES,31,305(1990)
Literature Reference DOI 10.3987/COM-89-5236
Molecular Weight 803.986 g/mol
Solvent CDCl3
Source File Reference UWMZ838
SpectraBase Batch ID 2KOHvKj1Yra