Acet-oxy-γ-valerolactone.
Ontology highlight
ABSTRACT:
SUBMITTER: Tristram C
PROVIDER: S-EPMC3685093 | biostudies-literature |
REPOSITORIES: biostudies-literature
Similar Datasets
Project description:In the title compound, [Hg(C(9)H(7)O(4))(2)(H(2)O)](n), the Hg(II) ion is five-coordinated by three acetylsalicylate anions and water leading to the formation of a coordination polymer extending parallel to (001). O-H?O and C-H?O hydrogen bonds are effective in the stabilization of the crystal structure.
| S-EPMC3212253 | biostudies-literature
Project description:The title compound, C(17)H(22)O(6), was semi-synthesized from 9-hy-droxy-arthenolide, which was isolated from the chloro-form extract of the aerial parts of Anvillea radiata. The mol-ecule contains fused five- and ten-membered rings: the five-membered lactone ring has a twisted conformation, whereas the ten-membered ring displays an approximate chair-chair conformation. The dihedral angle between the rings is 24.76?(9)°.
| S-EPMC3011600 | biostudies-literature
Project description:THE TITLE COMPOUND, [SYSTEMATIC NAME: 5a-acet-oxy-methyl-3-isopropyl-8-methyl-1,2,3,3a,4,5,5a,6,7,10,10a,10b-dodeca-hydro-7,10-endo-epidi-oxy-cyclo-hepta-[e]indene-3a-carb-oxy-lic acid], C(22)H(32)O(6) (I), is closely related to methyl 5a-acet-oxy-methyl-3-isopropyl-8-methyl-1,2,3,3a,4,5,5a,6,7,10,10a,10b-dodeca-hydro-7,10-endo-epidi-oxy-cyclo-hepta-[e]indene-3a-carboxyl-ate, (II) [Brito et al., (2008 ▶). Acta Cryst. E64, o1209]. There are two mol-ecules in the asymmetric unit, which are linked by two strong intra-molecular O-H⋯O hydrogen bonds with graph-set motif R(2) (2)(8). In both (I) and (II), the conformation of the three fused rings are almost identical. The five-membered ring has an envelope conformation, the six-membered ring has a chair conformation and the seven-membered ring has a boat conformation. The most obvious differences between the two compounds is the observed disorder of the acet-oxy-methyl fragments in both mol-ecules of the asymmetric unit of (I). This disorder is not observed in (II). The crystal structure and the molecular conformation is stabilized by intermolecular C-H⋯O hydrogen bonds. The ability to form hydrogen bonds is different in the two compounds. The crystal studied was a non-merohedral twin, the ratio of the twin components being 0.28 (1):0.72 (1).
| S-EPMC3007890 | biostudies-literature
Project description:The title compound, C(33)H(46)O(7), is an unusual oxydation product of the therapeutic agent glycyrrhetinic acid that has, in comparison to the latter, a distinctly altered triterpene structure with one five- and four six-membered carbocycles complemented by a γ-lactone ring with a spiro-junction and a ring double bond. The junction between the five-membered ring C, a cyclo-penta-none ring, and the six-membered ring D, previously in question, was found to be cis, confirming earlier structure assignments based solely on chemical transformations. In the solid state, the compound exhibits five intra- and four inter-molecular C-H⋯O inter-actions with H⋯O distances less than or equal to 2.70 Å and C-H⋯O greater than 100°.
| S-EPMC2983216 | biostudies-literature
Project description:The title compound, C(16)H(12)O(6), is a common impurity of ortho-acetyl-salicylic acid (aspirin). The benzene rings form a dihedral angle of 81.9 (1)° while the acetyl and carboxyl groups form dihedral angles of 74.0 (1) and 26.4 (2)°, respectively, with the benzene rings to which they are bound. In the crystal, mol-ecules are linked by pairs of O-H⋯O hydrogen bonds between the carboxyl groups, forming inversion dimers.
| S-EPMC3393920 | biostudies-literature
Project description:In the title compound, C(13)H(10)O(4), an analog of acetyl-salicylic acid, the naphthalene unit is twisted slightly due to ortho disubstitution [dihedral angle between conjugated rings system in the naphthalene unit = 2.0?(2)°]. The mean planes of the carb-oxy-lic and ester groups are almost coplanar and perpendicular, respectively, to the mean plane of the conjugated aromatic system, making dihedral angles of 8.9?(3) and 89.3?(1)°. In the crystal, mol-ecules are paired through their carb-oxy-lic groups by the typical centrosymmetric O-H?O inter-actions with R(2) (2)(8) hydrogen-bond motifs. In addition, several weak C-H?O inter-molecular contacts are also observed. Finally, the mol-ecules are stacked along crystallographic [100] and [010] directions.
| S-EPMC3009309 | biostudies-literature
Project description:In the title compound, C(19)H(18)O(5), the ester group is twisted with respect to the acetyl-salicylic acid and eugenol rings at dihedral angles of 22.48?(2) and 81.07?(1)°, respectively. The dihedral angle between the two benzene rings is 60.72?(1)°. The crystal packing exhibits no significantly short inter-molecular contacts.
| S-EPMC3152028 | biostudies-literature
Project description:Four of the five six-membered rings of the title penta-cyclic triterpene, C(33)H(52)O(4), adopt chair conformations; the fifth, which has a C=C double bond, adopts an approximate envelope conformation.
| S-EPMC2969982 | biostudies-literature
Project description:The title compound, C(10)H(10)O(4), crystallizes with the well-known carb-oxy-lic acid dimer-forming R(2) (2)(8) hydrogen-bond motif. Chains approximately parallel to (-1-12) are then built through C(methyl-ene,phen-yl)-H⋯O(carbon-yl) inter-actions [C(6) and C(8) motifs] with one (meth-yl)C-H⋯π inter-action providing inter-planar binding. The weakness of the latter inter-action is consistent with the difficulty experienced in obtaining suitable single crystals.
| S-EPMC3569790 | biostudies-literature
Project description:Two independent mol-ecules comprise the asymmetric unit of the title cholestane derivative, C(29)H(49)NO(3) {systematic name: (3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethyl-hex-yl]-6-hy-droxy-imino-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetra-deca-hydro-1H-cyclo-penta-[a]phenanthren-3-yl ace-tate}. The major differences between the mol-ecules relate to the relative orientations of the terminal acetyl [C-C-O-C torsion angles = -158.8?(3) and -81.7?(3)°] and alkyl groups [C-C-C-C = 168.9?(3) and 65.8?(4)°]. In the crystal, the independent mol-ecules associate via pairs of O-H?N hydrogen bonds, forming dimeric aggregates. Supra-molecular layers in the ab plane are mediated by C-H?O inter-actions.
| S-EPMC3100065 | biostudies-literature