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(3-R,1'-S)-1'-{[N-(4-BROMOPHENYL)-CARBAMOYL]-METHYL}-12'-METHYLTRIDECYL-4-[N-(4-BROMOPHENYL)-CARBAMOYL]-3-METHYLBUTANOATE

View entire compound with spectra: 1 NMR

(3-R,1'-S)-1'-{[N-(4-BROMOPHENYL)-CARBAMOYL]-METHYL}-12'-METHYLTRIDECYL-4-[N-(4-BROMOPHENYL)-CARBAMOYL]-3-METHYLBUTANOATE
SpectraBase Compound ID IW376n43H3m
InChI InChI=1S/C34H48Br2N2O4/c1-25(2)12-10-8-6-4-5-7-9-11-13-31(24-33(40)38-30-20-16-28(36)17-21-30)42-34(41)23-26(3)22-32(39)37-29-18-14-27(35)15-19-29/h14-21,25-26,31H,4-13,22-24H2,1-3H3,(H,37,39)(H,38,40)/t26-,31-/m1/s1
InChIKey MKXXVMMFDFBDAI-MXBOTTGLSA-N
Mol Weight 708.6 g/mol
Molecular Formula C34H48Br2N2O4
Exact Mass 706.198084 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6vByaU2k1QI
Name (3-R,1'-S)-1'-{[N-(4-BROMOPHENYL)-CARBAMOYL]-METHYL}-12'-METHYLTRIDECYL-4-[N-(4-BROMOPHENYL)-CARBAMOYL]-3-METHYLBUTANOATE
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H48Br2N2O4
InChI InChI=1S/C34H48Br2N2O4/c1-25(2)12-10-8-6-4-5-7-9-11-13-31(24-33(40)38-30-20-16-28(36)17-21-30)42-34(41)23-26(3)22-32(39)37-29-18-14-27(35)15-19-29/h14-21,25-26,31H,4-13,22-24H2,1-3H3,(H,37,39)(H,38,40)/t26-,31-/m1/s1
InChIKey MKXXVMMFDFBDAI-MXBOTTGLSA-N
Literature Reference Author M.IGARASHI,Y.TAKAHASHI,T.SHITARA,H.NAKAMURA,H.NAGANAWA,T.MIY AKE,Y.AKAMATSU
Literature Reference Citation J.ANTIBIOTICS,58,327(2005)
Literature Reference DOI 10.1038/ja.2005.41
Molecular Weight 708.574 g/mol
Sample ID 57
Solvent CDCl3