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(±)-4,12,15,18,26-Penta-hydroxy-13,17-dioxahepta-cyclo-[14.10.0.0.0.0.0.0]hexa-cosa-1,3(14),6(11),7,9,15,19,21,23-nona-ene-5,25-dione monohydrate.

ABSTRACT: The title compound, C(24)H(14)O(9)·H(2)O, displays a cup-shaped form. The water mol-ecule is disordered over two set of sites with an occupancy ratio of 0.78:0.22. The mol-ecule of the compound has four stereocenters and corresponds to the SSRR/RRSS diastereoisomer. In the mol-ecule, the maximum dihedral angle between the planar benzene rings is 80.40 (4)°. The H atoms of the hy-droxy groups are engaged in hydrogen bonding, forming infinite chains parallel to the a axis. These chains are inter-linked through water mol-ecules, resulting in the formation of a two-dimensional network parallel to the (001) plane. Futhermore C-H⋯O, C-H⋯π and slipped π-π inter-actions result in the formation of a three-dimensional network.

SUBMITTER: Mahmood K

PROVIDER: S-EPMC3099947 | biostudies-literature | 2011 Apr

REPOSITORIES: biostudies-literature

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(±)-4,12,15,18,26-Penta-hydroxy-13,17-dioxahepta-cyclo-[14.10.0.0.0.0.0.0]hexa-cosa-1,3(14),6(11),7,9,15,19,21,23-nona-ene-5,25-dione monohydrate.

Mahmood Khalid K Yaqub Muhammad M Tahir M Nawaz MN Shafiq Zahid Z Qureshi Ashfaq Mahmood AM

Acta crystallographica. Section E, Structure reports online 20110319 Pt 4

The title compound, C(24)H(14)O(9)·H(2)O, displays a cup-shaped form. The water mol-ecule is disordered over two set of sites with an occupancy ratio of 0.78:0.22. The mol-ecule of the compound has four stereocenters and corresponds to the SSRR/RRSS diastereoisomer. In the mol-ecule, the maximum dihedral angle between the planar benzene rings is 80.40 (4)°. The H atoms of the hy-droxy groups are engaged in hydrogen bonding, forming infinite chains parallel to the a axis. These chains are inter-l ...[more]

PMID: 21754184

Similar Datasets

(±)-4,12,15,18,26-Penta-hydroxy-13,17-dioxahepta-cyclo-[14.10.0.0(3,14).0(4,12).0(6,11).0(18,26).0(19,24)]hexa-cosa-1,3(14),6(11),7,9,15,19,21,23-nona-ene-5,25-dione methanol disolvate.

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Project description:In the title compound, C(34)H(30)N(2)O(6)·0.5C(4)H(8)O(2), there are two mol-ecules in the asymmetric unit and the structure is stabilized by C-H⋯O inter-actions. The two nonsolvent mol-ecules of the asymmetric unit are linked together by a weak C-H⋯O hydrogen bond. The ethyl acetate mol-ecule is present as a space filler and does not participate in the hydrogen-bonding network.

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Project description:The title quassinoid compound, C(20)H(24)O(9)·CH(3)OH·2H(2)O, is a natural eurycomanone isolated from the roots of Eurycoma longifolia. The mol-ecules contain a fused five-ring system, with one tetra-hydro-furan ring adopting an envelope conformation, one tetra-hydro-pyran-2-one ring in a screw boat conformation, one cyclo-hexenone ring in a half-chair conformation and two cyclo-hexane rings in chair conformations. Intra-molecular C-H⋯O inter-actions generate S(5) ring motifs and an O-H⋯O inter-action generates an S(7) ring motif. In the crystal, mol-ecules are linked via inter-molecular O-H⋯O inter-actions along the b axis and further stacked along a axis. The absolute configuration of the title compound was inferred from previously solved structures of its analogues.

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Ethyl 8,13-dioxa-21-aza-penta-cyclo-[18.5.1.0(2,7).0(14,19).0(21,25)]hexa-cosa-2(7),3,5,14,16,18-hexa-ene-26-carboxyl-ate.

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8,11,24-Trioxa-21-thia-19-aza-penta-cyclo-[16.6.0.0(2,7).0(12,17).0(19,23)]tetra-cosa-2(7),3,5,12,14,16-hexa-ene.

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15-Hydroxy-ethyl-19-isopropyl-5,9-dimethyl-14,16-dioxo-15-aza-penta-cyclo-[10.5.2.0.0.0]nona-dec-18-ene-5-carboxylic acid.

Project description:The title compound, C(26)H(37)NO(5), which was synthesized from monoethano-lamine and maleopimaric acid, consists of two fused and unbridged cyclo-hexane rings. They form a trans ring junction with a chair conformation. The two methyl groups are in axial positions. In the crystal, inter-molecular O-H⋯O hydrogen bonds link adjacent mol-ecules into a layer structure. Two C-H⋯O interactions are also present.

| S-EPMC2970322 | biostudies-literature

Ethyl 23-benzyl-8,11,14-trioxa-23,28,29-triaza-penta-cyclo-[19.7.1.0(2,7).0(15,20).0(22,27)]nona-cosa-2,4,6,15(20),16,18,21,26-octa-ene-26-carboxyl-ate.

Project description:The title compound, C33H35N3O5, is the product of the multicomponent condensation of 1-benzyl-4-eth-oxy-carbonyl-piperidin-3-one with 1,5-bis-(2-formyl-phen-oxy)-3-oxapentane and ammonium acetate. The mol-ecule comprises a penta-cyclic system containing the aza-14-crown-4-ether macrocycle, tetra-hydro-pyrimidine, tetra-hydro-pyridine and two benzene rings. The aza-14-crown-4-ether ring adopts a bowl conformation with a dihedral angle of 62.37 (5)° between the benzene rings. The tetra-hydro-pyrimidine ring has an envelope conformation with the chiral C atom as the flap, whereas the tetra-hydro-pyridine ring adopts a distorted chair conformation. Two amino groups are involved in intra-molecular N-H⋯O hydrogen bonds. In the crystal, weak C-H⋯O hydrogen bonds link the mol-ecules into layers parallel to the ab plane.

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