Browse
Submit Data
Databases
API
Help

Dataset Information

21 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(6S)-6-[(1S,2R*)-1,2-Di-hydroxy-pent-yl]-4-meth-oxy-5,6-di-hydro-2H-pyran-2-one.

ABSTRACT: The title compound, C11H18O5, was isolated from a liquid culture of Pestalotiopsis sp. In the mol-ecule, the pyran-2-one ring assumes a half-chair conformation. The two terminal C atoms of the pentyl group were refined as disordered over two sets of sites, with refined occupancies of 0.881?(10) and 0.119?(10). In the crystal, mol-ecules are linked via O-H?O hydrogen bonds forming a three-dimensional network.

SUBMITTER: Valenti DJ

PROVIDER: S-EPMC3884319 | biostudies-literature | 2013 Oct

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

(6S)-6-[(1S,2R*)-1,2-Di-hydroxy-pent-yl]-4-meth-oxy-5,6-di-hydro-2H-pyran-2-one.

Valenti Domenic J DJ Arif Atta M AM Strobel Gary A GA Harper James K JK

Acta crystallographica. Section E, Structure reports online 20131019 Pt 11

The title compound, C11H18O5, was isolated from a liquid culture of Pestalotiopsis sp. In the mol-ecule, the pyran-2-one ring assumes a half-chair conformation. The two terminal C atoms of the pentyl group were refined as disordered over two sets of sites, with refined occupancies of 0.881 (10) and 0.119 (10). In the crystal, mol-ecules are linked via O-H⋯O hydrogen bonds forming a three-dimensional network. ...[more]

PMID: 24454095

Similar Datasets

Crystal structure of [(2R,3R,4S)-3,4-bis(acet-yloxy)-5-iodo-3,4-di-hydro-2H-pyran-2-yl]methyl acetate.

Project description:In the title compound, C12H15IO7, the 3,4-di-hydro-2H-pyran ring is in a distorted half-boat conformation with the atom bearing the acet-yloxy group adjacent to the C atom bearing the methyl-acetate group lying 0.633 (6) Å above the plane of the remaining ring atoms (r.m.s. deviation = 0.0907 Å). In the crystal, mol-ecules are linked into a supra-molecular chain along the a axis through two C-H⋯O inter-actions to the same acceptor carbonyl O atom; these chains pack with no specific inter-molecular inter-actions between them.

| S-EPMC4331918 | biostudies-literature

5,6-Dimethyl-4-phenyl-2H-pyran-2-one.

Project description:In the title compound, C(13)H(12)O(2), the dihedral angle between the pyran-one and phenyl rings is 57.55?(9)°. In the crystal, the mol-ecules are linked by ?-? stacking inter-actions between the parallel pyran-one rings of neighboring mol-ecules with distances of 3.5778?(11)?Å and 3.3871?(11)?Å between the planes. C-H?O interactions also occur.

| S-EPMC3344077 | biostudies-literature

(1S*,4aR*,5S*,6S*,8aR*)-3-Benzyl-1-methyl-5,6-diphenyl-3,4,4a,5,6,8a-hexa-hydro-1H-2,3-benzoxazin-4-one.

Project description:In the title compound, C(28)H(27)NO(2), the oxazinone ring adopts a twist-boat conformation and the cyclo-hexene ring has a twisted envelope conformation. The crystal structure is stabilized by weak non-classical inter-molecular C-H⋯O hydrogen bonds.

| S-EPMC2971003 | biostudies-literature

Dichloridobis[(1S,1S',2R,2R')-(+)-1,1'-di-tert-butyl-2,2'-diphospho-lane-κP,P']ruthenium(II).

Project description:In the title compound, [RuCl(2)(C(16)H(32)P(2))(2)], the Ru(II) ion is situated on a twofold rotation axis, so the asymmetric unit contains one half-mol-ecule. The slightly distorted octa-hedral environment of the Ru center is formed by four P atoms [Ru-P = 2.4417 (6) and 2.4544 (6) Å] from two different (1S,1S',2R,2R')-TangPhos ligands [(1S,1S',2R,2R')-TangPhos = (1S,1S',2R,2R')-(+)-1,1'-di-tert-butyl-2,2'-diphospho-lane] and two Cl atoms [Ru-Cl = 2.4267 (5) Å].

| S-EPMC2961537 | biostudies-literature

[(2R,3S,6S)-3-Acet-yloxy-6-(1-phenyl-1H-1,2,3-triazol-4-yl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate.

Project description:In the title compound, C(18)H(19)N(3)O(5), the 3,6-dihydro-2H-pyran ring adopts a half-chair, distorted towards a half-boat, conformation with Q(T) = 0.5276(14)?Å. The benzene ring is twisted out of the place of the triazole ring [dihedral angle = 23.54?(8)°]. In the crystal, supra-molecular layers in the ac plane are formed through C-H?O and C-H??(triazole) inter-actions. These stack along the b axis being connected by C-H?N contacts.

| S-EPMC3201326 | biostudies-literature

4-{[(1S,2R)-2-Hy-droxy-indan-1-yl]amino}-pent-3-en-2-one.

Project description:In the mol-ecule of the title compound, C(14)H(17)NO(2), the dihedral angle formed by the mean planes through the indan ring system and the amino-pentenone fragment is 83.26 (13)°. An intra-molecular N-H⋯O hydrogen bond is observed. In the crystal, mol-ecules are linked into one-dimensional chains extending along the [010] direction via O-H⋯O and C-H⋯O hydrogen bonds.

| S-EPMC3414912 | biostudies-literature

(1S,2R,3S,6S,7R)-3,7,11,11-Tetra-methyl-6,7-epoxybi-cyclo-[5.4.0]undecane-2-ol.

Project description:The title compound, C15H26O2, was synthesized from β-himachalene (3,5,5,9-tetra-methyl-2,4a,5,6,7,8-hexa-hydro-1H-benzo-cyclo-heptene), which was isolated from the Atlas cedar (cedrus atlantica). The mol-ecule is built up from a seven-membered ring to which a six- and a three-membered ring are fused. The seven- and six-membered rings each have a twist-boat conformation. In the crystal, O-H⋯O hydrogen bonds link the mol-ecules into zigzag chains running along the b-axis direction.

| S-EPMC4011231 | biostudies-literature

Crystal structure of (5R)-5-[(1S)-1,2-di-hydroxy-eth-yl]-4-meth-oxy-3-phenyl-2,5-di-hydro-furan-2-one.

Project description:In the title compound, C13H14O5, the furan ring is essentially planar [maximum deviation = 0.031?(3)?Å] with a stereogenic center (R) at the sp (3) hybridized C atom. The C atom bearing the dihy-droxy ethyl group is S. The absolute configuration is based on the precursor in the synthesis. The two O-H groups are in an anti conformation with respect to each other. The mean plane of the furan-one group is twisted by 8.2?(4)° from that of the phenyl ring. In the crystal, mol-ecules are linked by O-H?O hydrogen bonds involving furan-one C=O groups and symmetry-related hy-droxy groups, forming a two-dimensional network parallel to (001). Weak C-H?O hydrogen bonds are observed within the two-dimensional network.

| S-EPMC4257168 | biostudies-literature

(2R*,6S*)-tert-Butyl 2,6-bis-(hydroxy-meth-yl)morpholine-4-carboxyl-ate.

Project description:In the title compound, C(11)H(21)NO(5), the H atoms of the hydr-oxy groups are disordered over two positions, each in a 1:1 ratio. In the crystal, inter-molecular O-H?O hydrogen bonds link pairs of mol-ecules into centrosymmetric dimers. Weak inter-molecular O-H?O inter-actions further link these dimers into chains extended in the [100] direction.

| S-EPMC3006686 | biostudies-literature

3,5-Dimethyl-2,6-diphenyl-3,4,5,6-tetra-hydro-2H-pyran-4-one.

Project description:The mol-ecular structure of the title compound, C(19)H(20)O(2), reveals a slightly distorted chair conformation for the tetra-hydro-pyran ring with the two methyl and two phenyl substituents in equatorial positions.

| S-EPMC2968444 | biostudies-literature