Structure of Equilenin at 100 K: an estrone-related steroid.

ABSTRACT: The structure of the estrone-related steroid, Equilenin, C₁₈H₁₈O₂ (systematic name 3-hy-droxy-13-methyl-11,12,13,14,15,16-hexa-hydro-cyclo-penta-[a]phen-anthren-17-one), has been determined at 100 K. The crystals are ortho-rhom-bic, P2₁2₁2₁, and the absolute structure of the mol-ecule in the crystal has been determined by resonant scattering [Flack parameter = -0.05 (4)]. The C atoms of the A and B rings are almost coplanar, with an r.m.s. deviation from planarity of 0.0104 Å. The C ring has a sofa conformation, while the D ring has an envelope conformation with the methine C atom as the flap. The keto O atom and the methyl group are translated 0.78 and 0.79 Å, respectively, from the

SUBMITTER: Frampton CS 

PROVIDER: S-EPMC5598853 | biostudies-literature | 2017 Jul

REPOSITORIES: biostudies-literature