The complete 1H and 13C chemical shift assignments of a cyclopropylpyrroloindole analog: Adozelesin

The 1H and 13C nmr spectral assignments of [7bR]-N-[2-[(4,5,8,8a-tetrahydro-7-methyl-4-oxocyclo-propa[c]pyrrolo[3,2-e]indol-2(1H)-ylcarbonyl]-1H-indol-5-yl]-2-benzofurancarboxamide (Adozelesin) (1) are described. Complete and unambiguous assignments of the hydrogen and carbon spectra were made using a combination of conventional homonuclear and gradient-selected inverse-detected heteronuclear nmr experiments: double quantum filtered 1H-1H correlation spectroscopy (COSY), gradient-selected heteronuclear single quantum coherence spectroscopy (gs-HSQC), and gradient-selected heteronuclear multiple bond coherence spectroscopy (gs-HMBC). The enhanced sensitivity of these experiments allowed a smaller sample concentration and shorter spectral collection times for a full nmr analysis of this compound. The nmr data corroborates the published structure of this compound.