{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["67(Pt 4)"],"submitter":["Mu Y"],"pubmed_abstract":["The title compound, C(31)H(44)N(3)O(10) (+)·Cl(-)·CH(4)O, is the methanol solvate of 8-benzo-yloxy-,9,11,11a-tetra-hydroxy-6,10,13-trimeth-oxy-3-meth-oxy-methyl-1-methyl-tetra-deca-hydro-1H-3,6a,12-(epiethane-1,1,2-tri-yl)-7,9-methanona-phtho[2,3-b]azocin-1-ium chloride, the amine-protonated hydro-chloride of 14-benzoyl-mesaconine hydro-chloride. The cation has an aconitine carbon skeleton with four six-membered rings of which three display chair conformations and one a boat conformation, and two five-membered rings with envelope conformations. In the crystal, the components are connected into an infinite chain by inter- and intra-molecular O-H⋯O, N-H⋯O and O-H⋯Cl hydrogen bonds."],"journal":["Acta crystallographica. Section E, Structure reports online"],"pagination":["o974-5"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC3099831"],"repository":["biostudies-literature"],"pubmed_title":["14-Benzoyl-mesaconine hydro-chloride methanol monosolvate."],"pmcid":["PMC3099831"],"pubmed_authors":["Mu Y","Kuang TC","Wei HL","Li L","Hu SQ"],"additional_accession":[]},"is_claimable":false,"name":"14-Benzoyl-mesaconine hydro-chloride methanol monosolvate.","description":"The title compound, C(31)H(44)N(3)O(10) (+)·Cl(-)·CH(4)O, is the methanol solvate of 8-benzo-yloxy-,9,11,11a-tetra-hydroxy-6,10,13-trimeth-oxy-3-meth-oxy-methyl-1-methyl-tetra-deca-hydro-1H-3,6a,12-(epiethane-1,1,2-tri-yl)-7,9-methanona-phtho[2,3-b]azocin-1-ium chloride, the amine-protonated hydro-chloride of 14-benzoyl-mesaconine hydro-chloride. The cation has an aconitine carbon skeleton with four six-membered rings of which three display chair conformations and one a boat conformation, and two five-membered rings with envelope conformations. In the crystal, the components are connected into an infinite chain by inter- and intra-molecular O-H⋯O, N-H⋯O and O-H⋯Cl hydrogen bonds.","dates":{"release":"2011-01-01T00:00:00Z","publication":"2011 Apr","modification":"2025-04-04T23:27:29.22Z","creation":"2019-03-26T23:59:22Z"},"accession":"S-EPMC3099831","cross_references":{"pubmed":["21754235"],"doi":["10.1107/S1600536811010300"]}}