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6-[2''-(ANTI)-HYDROXY-3''-(4'-PHENYLBUTYLAMINO)-PROPXY]-3-OXO-8A-AZA-8A-HOMOERYTHROMYCIN_A;MAJOR_DIASTEREOMER
SpectraBase Compound ID FAn6oBDq0so
InChI InChI=1S/C42H71N3O11/c1-11-33-42(8,52)36(49)29(6)38(50)44-25(2)22-41(7,53-24-31(46)23-43-20-16-15-19-30-17-13-12-14-18-30)37(27(4)34(47)28(5)39(51)55-33)56-40-35(48)32(45(9)10)21-26(3)54-40/h12-14,17-18,25-29,31-33,35-37,40,43,46,48-49,52H,11,15-16,19-24H2,1-10H3,(H,44,50)
InChIKey KBLTVQRNSHZPTO-UHFFFAOYSA-N
Mol Weight 794.0 g/mol
Molecular Formula C42H71N3O11
Exact Mass 793.50886 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E9ErUEViQNA
Name 6-[2''-(SYN)-HYDROXY-3''-(4'-PHENYLBUTYLAMINO)-PROPXY]-3-OXO-8A-AZA-8A-HOMOERYTHROMYCIN_A;MAJOR_DIASTEREOMER
Compound Number 14AC
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H71N3O11
InChI InChI=1S/C42H71N3O11/c1-11-33-42(8,52)36(49)29(6)38(50)44-25(2)22-41(7,53-24-31(46)23-43-20-16-15-19-30-17-13-12-14-18-30)37(27(4)34(47)28(5)39(51)55-33)56-40-35(48)32(45(9)10)21-26(3)54-40/h12-14,17-18,25-29,31-33,35-37,40,43,46,48-49,52H,11,15-16,19-24H2,1-10H3,(H,44,50)
InChIKey KBLTVQRNSHZPTO-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 794.039 g/mol
Solvent CDCl3
Source File Reference UWMZ47443