<HashMap><database>biostudies-literature</database><scores/><additional><omics_type>Unknown</omics_type><volume>67(Pt 4)</volume><submitter>Mu Y</submitter><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.</pubmed_abstract><journal>Acta crystallographica. Section E, Structure reports online</journal><pagination>o974-5</pagination><full_dataset_link>https://www.ebi.ac.uk/biostudies/studies/S-EPMC3099831</full_dataset_link><repository>biostudies-literature</repository><pubmed_title>14-Benzoyl-mesaconine hydro-chloride methanol monosolvate.</pubmed_title><pmcid>PMC3099831</pmcid><pubmed_authors>Mu Y</pubmed_authors><pubmed_authors>Kuang TC</pubmed_authors><pubmed_authors>Wei HL</pubmed_authors><pubmed_authors>Li L</pubmed_authors><pubmed_authors>Hu SQ</pubmed_authors></additional><is_claimable>false</is_claimable><name>14-Benzoyl-mesaconine hydro-chloride methanol monosolvate.</name><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.</description><dates><release>2011-01-01T00:00:00Z</release><publication>2011 Apr</publication><modification>2025-04-04T23:27:29.22Z</modification><creation>2019-03-26T23:59:22Z</creation></dates><accession>S-EPMC3099831</accession><cross_references><pubmed>21754235</pubmed><doi>10.1107/S1600536811010300</doi></cross_references></HashMap>