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

View entire compound with spectra: 1 NMR

11-AMINO-9-DEOXO-3,11-DIDEOXY-9,11-N-NITRILOETHANO-3-OXO-5-O-DESOSAMINYL-6-O-METHYLERYTHRONOLIDE-A-11,12-CYCLIC-CARBAMATE
SpectraBase Compound ID KBb5Wbm5FvV
InChI InChI=1S/C33H55N3O9/c1-12-23-33(8)27-19(4)24(34-13-14-36(27)31(40)45-33)17(2)16-32(7,41-11)28(20(5)25(37)21(6)29(39)43-23)44-30-26(38)22(35(9)10)15-18(3)42-30/h17-23,26-28,30,38H,12-16H2,1-11H3/t17-,18-,19+,20+,21-,22+,23-,26-,27-,28-,30?,32+,33-/m1/s1
InChIKey JUXBXTDPLFNOCQ-HCFCSORKSA-N
Mol Weight 637.8 g/mol
Molecular Formula C33H55N3O9
Exact Mass 637.39383 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8ySGrA28g5M
Name 11-AMINO-9-DEOXO-3,11-DIDEOXY-9,11-N-NITRILOETHANO-3-OXO-5-O-DESOSAMINYL-6-O-METHYLERYTHRONOLIDE-A-11,12-CYCLIC-CARBAMATE
Compound Number 16A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H55N3O9
InChI InChI=1S/C33H55N3O9/c1-12-23-33(8)27-19(4)24(34-13-14-36(27)31(40)45-33)17(2)16-32(7,41-11)28(20(5)25(37)21(6)29(39)43-23)44-30-26(38)22(35(9)10)15-18(3)42-30/h17-23,26-28,30,38H,12-16H2,1-11H3/t17-,18-,19+,20+,21-,22+,23-,26-,27-,28-,30?,32+,33-/m1/s1
InChIKey JUXBXTDPLFNOCQ-HCFCSORKSA-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 637.814 g/mol
Solvent CDCl3
Source File Reference UWSI2035