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6-O-ALLYL-8A-AZA-8A-HOMOERYTHROMYCIN_A
SpectraBase Compound ID JzhmrhFLfnJ
InChI InChI=1S/C40H72N2O13/c1-15-17-50-39(10)19-21(3)41-35(46)25(7)32(44)40(11,48)28(16-2)53-36(47)24(6)31(54-29-20-38(9,49-14)33(45)26(8)52-29)23(5)34(39)55-37-30(43)27(42(12)13)18-22(4)51-37/h15,21-34,37,43-45,48H,1,16-20H2,2-14H3,(H,41,46)/t21-,22-,23+,24-,25-,26+,27+,28-,29+,30-,31+,32-,33+,34-,37+,38-,39-,40-/m1/s1
InChIKey FIGYZROLMPLSFY-WJIRXVBJSA-N
Mol Weight 789.0 g/mol
Molecular Formula C40H72N2O13
Exact Mass 788.50344 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DOLTxY9IrP5
Name 6-O-ALLYL-8A-AZA-8A-HOMOERYTHROMYCIN_A
Compound Number 2C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H72N2O13
InChI InChI=1S/C40H72N2O13/c1-15-17-50-39(10)19-21(3)41-35(46)25(7)32(44)40(11,48)28(16-2)53-36(47)24(6)31(54-29-20-38(9,49-14)33(45)26(8)52-29)23(5)34(39)55-37-30(43)27(42(12)13)18-22(4)51-37/h15,21-34,37,43-45,48H,1,16-20H2,2-14H3,(H,41,46)/t21-,22-,23+,24-,25-,26+,27+,28-,29+,30-,31+,32-,33+,34-,37+,38-,39-,40-/m1/s1
InChIKey FIGYZROLMPLSFY-WJIRXVBJSA-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 789.017 g/mol
Solvent CDCl3
Source File Reference UWMB480