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Methyl 3-acet-oxy-3-dehydroxy-ursolate.

ABSTRACT: 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.

SUBMITTER: Abdullah NH

PROVIDER: S-EPMC2969982 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Crystal structure of 3-acet-oxy-2-methyl-benzoic acid.

Project description:In the title mol-ecule, C10H10O4, the carb-oxy-lic acid group is twisted by 11.37 (15)° from the plane of the benzene ring and the acet-oxy group is twisted from this plane by 86.60 (17)°. In the crystal, mol-ecules are linked by pairs of O-H⋯O hydrogen bonds, forming inversion dimers with the expected R 2 (2)(8) graph-set motif.

| S-EPMC4518910 | biostudies-literature

Ethyl 4-acetamido-3-acet-oxy-2-benzyl-3-methyl-butano-ate.

Project description:The crystal structure of the title compound, C(18)H(25)NO(5), is stabilized by inter-molecular N-H⋯O hydrogen bonds, which form inversion dimers. The ethyl group is disordered over two positions in a 0.651 (12):0.349 (12) ratio.

| S-EPMC3239054 | biostudies-literature

Poly[(?-2-acet-oxy-benzoato)(2-acet-oxy-benzoato)-?-aqua-mercury(II)].

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

4-(7-Acet-oxy-6-meth-oxy-4-methyl-2-oxo-2H-chromen-3-yl)phenyl acetate.

Project description:The title compound, C(21)H(18)O(7), is an important inter-mediate in the synthesis of 3-(4-hydroxy-phen-yl)-4-methyl-6-meth-oxy-7-hydroxy-coumarin, which is a nonsteroidal analogue of 2-methoxy-estradiol (2-ME). The substituent benzene ring is not in the same plane as the coumarin ring system, with a dihedral angle of 66.88 (10)°. There are some weak inter-molecular C-H⋯O inter-actions. One carbonyl O atom is disordered over two sites, with occupancies of 0.6 and 0.4.

| S-EPMC2961866 | biostudies-literature

Acet-oxy-γ-valerolactone.

Project description:Levulinyl cellulose esters have been produced as an effective renewable binder for architectural coatings. The title compound, C7H10O4 (systematic name: 2-methyl-5-oxo-tetra-hydro-furan-2-yl acetate), assigned as the esterifying species, was isolated and crystallized to confirm the structure. In the crystal, the mol-ecules pack in layers parallel to (102) utilizing weak C-H⋯O inter-actions.

| S-EPMC3685093 | biostudies-literature

2-[5-Methyl-2-(propan-2-yl)phen-oxy]-N'-{2-[5-methyl-2-(propan-2-yl)phen-oxy]acet-yl}acetohydrazide.

Project description:The complete mol-ecule of the title compound, C(24)H(32)N(2)O(4), is generated by a crystallographic inversion center. The 1,2-diethyl-hydrazine moiety is nearly planar, with a maximum deviation of 0.024 (1) Å, and is inclined at a dihedral angle of 54.20 (4)° with the phenyl ring. In the crystal, [001] chains are formed, with adjacent mol-ecules in the chain linked by pair of inter-molecular N-H⋯O hydrogen bonds, generating R(2) (2)(10) ring motifs. Inter-molecular C-H⋯O hydrogen bonds and C-H⋯π inter-actions are also observed.

| S-EPMC3200946 | biostudies-literature

Methyl 2-{N-[2-(2,4-dichloro-phen-oxy)acet-yl]-4-[(4,6-dimeth-oxy-pyrimidin-2-yl)-oxy]anilino}propano-ate.

Project description:In the title mol-ecule, C(24)H(23)Cl(2)N(3)O(7), the central benzene ring forms dihedral angles of 65.71 (1) and 44.42 (1)° with the pyrimidine ring and the terminal benzene ring, respectively. In the crystal, molecules are linked via C-H⋯O hydrogen bonds.

| S-EPMC3393314 | biostudies-literature

N-(4-Methyl-phen-yl)-N-{[(2-nitro-phen-yl)acet-yl]-oxy}benzamide.

Project description:In the title mol-ecule, C(22)H(18)N(2)O(5), the nitro-substituted benzene ring makes dihedral angles of 71.56?(1)° with the benzoyl ring and 16.28?(1)° with the methyl-substituted benzene ring. The crystal structure features C-H?O inter-actions, which generate chains.

| S-EPMC3470341 | biostudies-literature

(1R,3S,5R,6S)-6-Acet-oxy-3-(4-methyl-phenyl-sulfon-yloxy)tropane.

Project description:IN THE TITLE COMPOUND [SYSTEMATIC NAME: (1R,3S,5R,6S)-8-methyl-3-(4-methyl-phenyl-sulfon-yloxy)-8-aza-bicyclo-[3.2.1]octan-6-yl acetate], C(17)H(23)NO(5)S, the fused piperidine ring exists in a chair conformation with the N atom and one C atom displaced by 0.876 (2) and -0.460 (3) Å, respectively, on opposite sides of the mean plane defined by the other four atoms. The fused pyrrolidine ring adopts an envelope conformation with the N atom deviating by 0.644 (3) Å from the mean plane of the other four atoms.

| S-EPMC2960129 | biostudies-literature

9?-Acet-oxy-1?,10?-ep-oxy-parthenolide.

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

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