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The complete 1 H and 13 C chemical shift assignments of a cyclopropylpyrroloindole analog: Adozelesin
Author(s) -
Walker G. S.,
Fagemess P. E.,
Farley K. A.,
Mizsak S. A.
Publication year - 1997
Publication title -
journal of heterocyclic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.321
H-Index - 59
eISSN - 1943-5193
pISSN - 0022-152X
DOI - 10.1002/jhet.5570340145
Subject(s) - heteronuclear molecule , homonuclear molecule , chemistry , heteronuclear single quantum coherence spectroscopy , spectroscopy , nuclear magnetic resonance spectroscopy , analytical chemistry (journal) , two dimensional nuclear magnetic resonance spectroscopy , chemical shift , transverse relaxation optimized spectroscopy , spectral line , dept , nuclear magnetic resonance , stereochemistry , fluorine 19 nmr , molecule , physics , organic chemistry , quantum mechanics , astronomy
The 1 H and 13 C nmr spectral assignments of [7bR]‐ N ‐[2‐[(4,5,8,8a‐tetrahydro‐7‐methyl‐4‐oxocyclo‐propa[ c ]pyrrolo[3,2‐ e ]indol‐2(1 H )‐ylcarbonyl]‐1 H ‐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 1 H‐ 1 H 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.