title: Isolation and X-ray structure of deoxycholic acid from the sponge Ircinia sp.
abstract: Ethyl acetate extract of the sponge Ircinia sp., collected by SCUBA divers off the coast of southern India, contained a cholest-based sterol of insignificant antimicrobial activity, with one carboxylic acid side chain (3alpha, 7beta-dihydroxy-5beta-cholan-24-oic acid, DCA). The structure of the compound was determined by spectroscopic data and single crystal X-ray diffraction studies. DCA crystallizes in the tetragonal space group P4(1)2(1)2, chirality documented by solution optical rotation [alpha]D = +67.4 degrees (c 0.16, CHCl3).
authors.affiliation: Bioorganic Chemistry Laboratory, National Institute of Oceanography (CSIR), Goa-403004, India.
authors.forename: Keisham Sarjit
authors.initials: KS
authors.lastname: Singh
authors.forename: Werner
authors.initials: W
authors.lastname: Kaminsky
mesh_terms: D000818:Animals; D018360:Crystallography, X-Ray; D003840:Deoxycholic Acid / Q000737:chemistry*; D008958:Models, Molecular; D015394:Molecular Structure; D011161:Porifera / Q000737:chemistry*
chemical_list: D003840:Deoxycholic Acid