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6-[2''-(ANTI)-HYDROXY-3''-PHENETHYLAMINOPROPOXY]-3-OXO-8A-AZA-8A-HOMOERYTHROMYCIN_A
SpectraBase Compound ID 6RHppgtARFG
InChI InChI=1S/C40H67N3O11/c1-11-31-40(8,50)34(47)27(6)36(48)42-23(2)20-39(7,51-22-29(44)21-41-18-17-28-15-13-12-14-16-28)35(25(4)32(45)26(5)37(49)53-31)54-38-33(46)30(43(9)10)19-24(3)52-38/h12-16,23-27,29-31,33-35,38,41,44,46-47,50H,11,17-22H2,1-10H3,(H,42,48)
InChIKey NWWMWAXLYUYZNH-UHFFFAOYSA-N
Mol Weight 766.0 g/mol
Molecular Formula C40H67N3O11
Exact Mass 765.47756 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EOsEpsyWRAy
Name 6-[2''-(ANTI)-HYDROXY-3''-PHENETHYLAMINOPROPOXY]-3-OXO-8A-AZA-8A-HOMOERYTHROMYCIN_A
Compound Number 14BA_MAJOR_DIA STEREOMER
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H67N3O11
InChI InChI=1S/C40H67N3O11/c1-11-31-40(8,50)34(47)27(6)36(48)42-23(2)20-39(7,51-22-29(44)21-41-18-17-28-15-13-12-14-16-28)35(25(4)32(45)26(5)37(49)53-31)54-38-33(46)30(43(9)10)19-24(3)52-38/h12-16,23-27,29-31,33-35,38,41,44,46-47,50H,11,17-22H2,1-10H3,(H,42,48)
InChIKey NWWMWAXLYUYZNH-UHFFFAOYSA-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 765.985 g/mol
Solvent CDCl3
Source File Reference UWMZ47442