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6-O-ETHYL-3-OXO-9A-AZA-9A-HOMOERYTHROMYCIN_A
SpectraBase Compound ID 6Lx7NNLJsmY
InChI InChI=1S/C31H56N2O10/c1-12-22-31(9,39)25(36)20(7)32-27(37)16(3)15-30(8,40-13-2)26(18(5)23(34)19(6)28(38)42-22)43-29-24(35)21(33(10)11)14-17(4)41-29/h16-22,24-26,29,35-36,39H,12-15H2,1-11H3,(H,32,37)/t16-,17-,18+,19-,20-,21+,22-,24-,25-,26-,29+,30-,31-/m1/s1
InChIKey VSTCVGBVKHVCNJ-DZKRKKNISA-N
Mol Weight 616.8 g/mol
Molecular Formula C31H56N2O10
Exact Mass 616.393496 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9Ssojx07Lfk
Name 6-O-ETHYL-3-OXO-9A-AZA-9A-HOMOERYTHROMYCIN_A
Compound Number 5B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H56N2O10
InChI InChI=1S/C31H56N2O10/c1-12-22-31(9,39)25(36)20(7)32-27(37)16(3)15-30(8,40-13-2)26(18(5)23(34)19(6)28(38)42-22)43-29-24(35)21(33(10)11)14-17(4)41-29/h16-22,24-26,29,35-36,39H,12-15H2,1-11H3,(H,32,37)/t16-,17-,18+,19-,20-,21+,22-,24-,25-,26-,29+,30-,31-/m1/s1
InChIKey VSTCVGBVKHVCNJ-DZKRKKNISA-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 616.793 g/mol
Solvent CDCl3
Source File Reference UWMB470