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6-O-ETHYL-9A-AZA-9A-HOMOERYTHROMYCIN_A
SpectraBase Compound ID GJThdzVdBeD
InChI InChI=1S/C39H72N2O13/c1-15-27-39(11,47)31(43)24(7)40-34(45)20(3)18-38(10,49-16-2)33(54-36-29(42)26(41(12)13)17-21(4)50-36)22(5)30(23(6)35(46)52-27)53-28-19-37(9,48-14)32(44)25(8)51-28/h20-33,36,42-44,47H,15-19H2,1-14H3,(H,40,45)/t20-,21-,22+,23-,24-,25+,26+,27-,28+,29-,30+,31-,32+,33-,36+,37-,38-,39-/m1/s1
InChIKey BFDDUSLEPANCSY-MQXKYAMRSA-N
Mol Weight 777.0 g/mol
Molecular Formula C39H72N2O13
Exact Mass 776.50344 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KiLIZsYh76f
Name 6-O-ETHYL-9A-AZA-9A-HOMOERYTHROMYCIN_A
Compound Number 1B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H72N2O13
InChI InChI=1S/C39H72N2O13/c1-15-27-39(11,47)31(43)24(7)40-34(45)20(3)18-38(10,49-16-2)33(54-36-29(42)26(41(12)13)17-21(4)50-36)22(5)30(23(6)35(46)52-27)53-28-19-37(9,48-14)32(44)25(8)51-28/h20-33,36,42-44,47H,15-19H2,1-14H3,(H,40,45)/t20-,21-,22+,23-,24-,25+,26+,27-,28+,29-,30+,31-,32+,33-,36+,37-,38-,39-/m1/s1
InChIKey BFDDUSLEPANCSY-MQXKYAMRSA-N
Literature Reference Author S.ALIHODZIC,A.FAJDETIC,G.KOBREHEL,G.LAZAREVSKI,S.MUTAK,D.PAV LOVIC,V.STIMAC,H.CIP
Literature Reference Citation J.ANTIBIOTICS,59,753(2006)
Literature Reference DOI 10.1038/ja.2006.100
Molecular Weight 777.006 g/mol
Solvent CDCl3
Source File Reference UWMB476