title: Complete assignments of the 1H and 13C resonances of 40-epi-(N1-tetrazolyl)-rapamycin and revised 13C assignments for rapamycin.
abstract: Complete 1H and 13C assignments of 40-epi-(N1-tetrazolyl)-rapamycin (ABT-578) in DMSO-d6 were made using 1H, 13C, DQCOSY, ROESY, TOCSY, HSQC and HMBC spectra. Comparing the assignments with those of rapamycin showed that in the published 13C assignments of rapamycin in DMSO-d6 the shifts for C-12 and C-42 have been interchanged, as well as the shifts for C-1 and C-8.
authors.affiliation: Abbott Laboratories, Global Pharmaceutical Research and Development Division, 100 Abbott Park Rd, Abbott Park, IL 60064-6114, USA. thomas.g.pagano@abbott.com
authors.forename: Thomas G
authors.initials: TG
authors.lastname: Pagano
mesh_terms: D002247:Carbon Isotopes; D009682:Magnetic Resonance Spectroscopy / Q000379:methods; D008958:Models, Molecular; D008968:Molecular Conformation; D020123:Sirolimus / Q000031:analogs & derivatives* / Q000737:chemistry*; D013777:Tetrazoles
chemical_list: D002247:Carbon Isotopes; D013777:Tetrazoles; D020123:Sirolimus