title: Androstane-3β,5α,6β,17β-tetrol tri-hydrate.
abstract: The title hydrated tetrol, C(19)H(32)O(4)·3H(2)O, was synthesized by stereoselective reduction of the compound 3β,5α,6β-trihy-droxy-androstan-17-one. All rings are fused trans. The organic mol-ecules are connected head-to-tail along the c axis via O-H⋯O hydrogen bonds. Layers of water mol-ecules in the ab plane inter-connect these chains. A quantum chemical ab initio Roothan Hartree-Fock calculation of the isolated mol-ecule gives values for the mol-ecular geometry close to experimentally determined ones, apart from the C-O bond lengths, whose calculated values are significantly smaller than the measured ones, probably a consequence of the involvement of the C-OH groups in the hydrogen-bonding network.
authors.forename: L C R
authors.initials: LC
authors.lastname: Andrade
authors.forename: M J B M
authors.initials: MJ
authors.lastname: de Almeida
authors.forename: J A
authors.initials: JA
authors.lastname: Paixão
authors.forename: J F S
authors.initials: JF
authors.lastname: Carvalho
authors.forename: M L
authors.initials: ML
authors.lastname: Sá E Melo