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6-O-METHYL-3-O-DECLADINOSYL-3-O-(PYRIDIN-4-YL)ACETYL-8A-AZA-8A-HOMOERYTHROMYCIN_A
SpectraBase Compound ID 7eWlXsUNo2u
InChI InChI=1S/C37H61N3O11/c1-12-27-37(8,46)31(43)24(6)33(44)39-20(2)19-36(7,47-11)32(51-35-29(42)26(40(9)10)17-21(3)48-35)22(4)30(23(5)34(45)49-27)50-28(41)18-25-13-15-38-16-14-25/h13-16,20-24,26-27,29-32,35,42-43,46H,12,17-19H2,1-11H3,(H,39,44)/t20-,21-,22+,23-,24-,26+,27-,29-,30+,31-,32-,35+,36-,37-/m1/s1
InChIKey HUDKTOCUPJHJDK-UZSWFSKASA-N
Mol Weight 723.9 g/mol
Molecular Formula C37H61N3O11
Exact Mass 723.43061 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8szIWU9bOsF
Name 6-O-METHYL-3-O-DECLADINOSYL-3-O-(PYRIDIN-4-YL)ACETYL-8A-AZA-8A-HOMOERYTHROMYCIN_A
Compound Number 23
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H61N3O11
InChI InChI=1S/C37H61N3O11/c1-12-27-37(8,46)31(43)24(6)33(44)39-20(2)19-36(7,47-11)32(51-35-29(42)26(40(9)10)17-21(3)48-35)22(4)30(23(5)34(45)49-27)50-28(41)18-25-13-15-38-16-14-25/h13-16,20-24,26-27,29-32,35,42-43,46H,12,17-19H2,1-11H3,(H,39,44)/t20-,21-,22+,23-,24-,26+,27-,29-,30+,31-,32-,35+,36-,37-/m1/s1
InChIKey HUDKTOCUPJHJDK-UZSWFSKASA-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 723.905 g/mol
Solvent CDCl3
Source File Reference UWMB463