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11-AMINO-9-DEOXO-3,11-DIDEOXY-9,11-N-(2R-METHYL)-NITRILOETHANO-3-OXO-5-O-DESOSAMINYL-6-O-METHYLERYTHRONOLIDE-A-11,12-CYCLIC-CARBAMATE

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11-AMINO-9-DEOXO-3,11-DIDEOXY-9,11-N-(2R-METHYL)-NITRILOETHANO-3-OXO-5-O-DESOSAMINYL-6-O-METHYLERYTHRONOLIDE-A-11,12-CYCLIC-CARBAMATE
SpectraBase Compound ID 6dd1JT7CG3O
InChI InChI=1S/C34H57N3O9/c1-13-24-34(9)28-20(5)25(35-18(3)16-37(28)32(41)46-34)17(2)15-33(8,42-12)29(21(6)26(38)22(7)30(40)44-24)45-31-27(39)23(36(10)11)14-19(4)43-31/h17-24,27-29,31,39H,13-16H2,1-12H3/t17-,18-,19-,20+,21+,22-,23+,24-,27-,28-,29-,31+,33?,34-/m1/s1
InChIKey PBUHYGRTJDVTAY-BNQXWQPUSA-N
Mol Weight 651.8 g/mol
Molecular Formula C34H57N3O9
Exact Mass 651.40948 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KbqbR7bFPyf
Name 11-AMINO-9-DEOXO-3,11-DIDEOXY-9,11-N-(2R-METHYL)-NITRILOETHANO-3-OXO-5-O-DESOSAMINYL-6-O-METHYLERYTHRONOLIDE-A-11,12-CYCLIC-CARBAMATE
Compound Number 16B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H57N3O9
InChI InChI=1S/C34H57N3O9/c1-13-24-34(9)28-20(5)25(35-18(3)16-37(28)32(41)46-34)17(2)15-33(8,42-12)29(21(6)26(38)22(7)30(40)44-24)45-31-27(39)23(36(10)11)14-19(4)43-31/h17-24,27-29,31,39H,13-16H2,1-12H3/t17-,18-,19-,20+,21+,22-,23+,24-,27-,28-,29-,31+,33?,34-/m1/s1
InChIKey PBUHYGRTJDVTAY-BNQXWQPUSA-N
Literature Reference Author M.KASHIMURA,T.ASAKA,Y.MISAWA,K.MATSUMOTO,S.MORIMOTO
Literature Reference Citation J.ANTIBIOTICS,54,664(2001)
Literature Reference DOI 10.7164/antibiotics.54.664
Molecular Weight 651.841 g/mol
Solvent CDCl3
Source File Reference UWSI2036