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3-O-DESCLADINOSYL-3-OXO-6-O-ALLYL-8A-AZA-8A-HOMOERYTHROMYCIN_A
SpectraBase Compound ID 3Qg1oUGvErr
InChI InChI=1S/C32H56N2O10/c1-12-14-41-31(8)16-17(3)33-28(38)21(7)26(37)32(9,40)23(13-2)43-29(39)20(6)24(35)19(5)27(31)44-30-25(36)22(34(10)11)15-18(4)42-30/h12,17-23,25-27,30,36-37,40H,1,13-16H2,2-11H3,(H,33,38)
InChIKey YWQVRHWLWCIYEI-UHFFFAOYSA-N
Mol Weight 628.8 g/mol
Molecular Formula C32H56N2O10
Exact Mass 628.393496 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6zqruZgwlMO
Name 3-O-DESCLADINOSYL-3-OXO-6-O-ALLYL-8A-AZA-8A-HOMOERYTHROMYCIN_A
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H56N2O10
InChI InChI=1S/C32H56N2O10/c1-12-14-41-31(8)16-17(3)33-28(38)21(7)26(37)32(9,40)23(13-2)43-29(39)20(6)24(35)19(5)27(31)44-30-25(36)22(34(10)11)15-18(4)42-30/h12,17-23,25-27,30,36-37,40H,1,13-16H2,2-11H3,(H,33,38)
InChIKey YWQVRHWLWCIYEI-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 628.804 g/mol
Solvent CDCl3
Source File Reference UWMZ47436