Browse
Submit Data
Databases
API
Help

Dataset Information

19 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

1-[(2R,4aR,8R,8aR)-8-Hy-droxy-4a,8-di-methyl-perhydronaphthalen-2-yl]ethan-1-one.

ABSTRACT: The title compound, C(14)H(24)O(2), was synthesized from ilicic acid, which was isolated from the aerial part of Inula Viscosa- (L) Aiton [or Dittrichia Viscosa- (L) Greuter]. The mol-ecule contains two fused six-membered rings, which both display a chair conformation. In the crystal, mol-ecules are linked into chains propagating along the b axis by inter-molecular O-H?O hydrogen bonds.

SUBMITTER: Tebbaa M

PROVIDER: S-EPMC3052061 | biostudies-literature | 2011 Feb

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

1-[(2R,4aR,8R,8aR)-8-Hy-droxy-4a,8-di-methyl-perhydronaphthalen-2-yl]ethan-1-one.

Tebbaa Mohamed M Benharref Ahmed A Berraho Moha M Daran Jean-Claude JC Akssira Mohamed M Elhakmaoui Ahmed A

Acta crystallographica. Section E, Structure reports online 20110212 Pt 3

The title compound, C(14)H(24)O(2), was synthesized from ilicic acid, which was isolated from the aerial part of Inula Viscosa- (L) Aiton [or Dittrichia Viscosa- (L) Greuter]. The mol-ecule contains two fused six-membered rings, which both display a chair conformation. In the crystal, mol-ecules are linked into chains propagating along the b axis by inter-molecular O-H⋯O hydrogen bonds. ...[more]

PMID: 21522359

Similar Datasets

2-{(1S,2S,4aR,8R,8aR)-8-Hy-droxy-4a,8-dimethyl-1-[(2E)-2-methyl-but-2-eno-yl-oxy]perhydro-naphthalen-2-yl}acrylic acid from Sclerorhachis platyrachis.

Project description:The eudesmane-type terpenoid, C(20)H(30)O(5), isolated from Sclerorhachis platyrachis, has a deca-lin skeleton whose six-membered rings adopt chair conformations. The two methyl substituents occupy axial positions, whereas the other three substituents occupy equatorial positions. The hy-droxy group is an intra-molecular hydrogen-bond donor to the single-bond ester O atom; adjacent mol-ecules are linked through the carb-oxy-lic acid interacting with the hydroxyl group, forming a hydrogen-bonded chain running along the c axis.

| S-EPMC3201322 | biostudies-literature

(4aR,8aR)-2,3-Diphenyl-4a,5,6,7,8,8a-hexa-hydro-quinoxaline.

Project description:The title mol-ecule, C(20)H(20)N(2), is chiral; the absolute configuration follows from the known chirality of the input reagents. In addition to van der Waals forces, C-H⋯π ring inter-actions are also present. The angle between the planes of the phenyl rings is 65.6 (1)°. The heterocyclic ring of the quinoxaline system has a twist-boat configuration, while the cyclohexane ring has a chair configuration.

| S-EPMC2960268 | biostudies-literature

rac-(4aR,8aR)-2,3-Diphenyl-4a,5,6,7,8,8a-hexa-hydro-quinoxaline.

Project description:The structure of the title racemic compound, C(20)H(20)N(2), shows close similarity to that of the enanti-omerically pure (4aR,8aR)-2,3-diphenyl-4a,5,6,7,8,8a-hexa-hydro-quinoxaline [Wang & Ye (2008 ▶). Acta Cryst. E64, o359-o359]. The similarity applies to the unit-cell parameters as well as to the packing of the constituent mol-ecules. Similar packing is conditioned by a lack of directed inter-molecular inter-actions such as hydrogen bonds in either structure.

| S-EPMC2961730 | biostudies-literature

3-(4-Chloro-phen-yl)-1-[(2R,4aR,8aR)-4a,8-dimethyl-1,2,3,4,4a,5,6,8a-octa-hydro-naphthalen-2-yl]prop-2-en-1-one.

Project description:The title compound, C(21)H(25)ClO, was semi-synthesized from isocostic acid, isolated from the aerial part of Inula Viscosa- (L) Aiton [or Dittrichia Viscosa- (L) Greuter]. The cyclo-hexene ring has a half-chair conformation, whereas the cyclo-hexane ring displays a chair conformation.

| S-EPMC3120368 | biostudies-literature

(2R,3R,4aS,6S,7S,8aS)-4a-Fluoro-8a-hy-droxy-perhydro-naphthalene-2,3,6,7-tetrayl tetraacetate.

Project description:The title compound, C(18)H(25)FO(9), exhibits a similar unit cell and packing to the α polymorph of axial 4a,8a-dihy-droxy-per-hydro-naph-tha-lene-2,3,6,7-tetrayl tetraacetate. The carbonyl O atoms of two of the four acetate groups in the molecule are disordered over two sites with occupancy ratios of 0.59 (4):0.41 (4) and 0.57 (6):0.43 (6). Crystal packing is effected via inter-molecular O-H⋯O hydrogen bonds, which link the tetra-acetate mol-ecules into tapes along the c axis.

| S-EPMC3011589 | biostudies-literature

(1R*,2R*,3S*,4R*)-Diethyl 4-hy-droxy-4-methyl-2-(4-methyl-phen-yl)-6-oxo-cyclo-hexane-1,3-di-carboxyl-ate.

Project description:The title compound, C20H26O6, is chiral and crystallizes as a racemate: the relative configuration of the stereogenic centres is 1R*,2R*,3S*,4R*. The cyclo-hexane ring has a chair conformation. The ethyl fragment of the eth-oxy-carbonyl group in the 3-position is disordered over two sets of sites in a 0.650?(6):0.350?(6) ratio. The hy-droxy group acts as a bifurcated hydrogen-bond donor, forming both intra- and inter-molecular hydrogen bonds with ester carbonyl O atoms. The inter-molecular hydrogen bonds form inversion dimers in the crystal.

| S-EPMC3648266 | biostudies-literature

(2R,3S)-Methyl 2-hy-droxy-3-(4-methyl-benzene-sulfonamido)-3-phenyl-propano-ate.

Project description:In the title mol-ecule, C(17)H(19)NO(5)S, the p-tolyl ring is oriented approximately parallel to the phenyl ring [dihedral angle = 17.2?(1)°], resulting in an intra-molecular ?-? inter-ation [centroid-centroid distance = 3.184?(10)?Å]. In the crystal, mol-ecules are linked through O-H?O and C-H?O hydrogen bonds, forming hydrogen-bonded sheets lying diagonally across the ac face.

| S-EPMC3011734 | biostudies-literature

Crystal structure of (<i>E</i>)-2-hy-droxy-1,2-di-phenyl-ethan-1-one oxime.

Project description:The title compound, C14H13NO2, is a commercially available material and can be used as a multidentate ligand. The mol-ecule of the asymmetric unit has an R configuration, while the corresponding S-configured mol-ecule of the racemic mixture is generated by a crystallographic centre of symmetry. Both hy-droxy groups (the H atom of the oxime group is equally disordered over two positions) are involved in hydrogen bonding, leading to the formation of chains extending parallel to [001].

| S-EPMC5499291 | biostudies-literature

Crystal structure of (1S,3R,8R,10S)-2,2-di-chloro-10-hy-droxy-3,7,7,10-tetra-methyl-tri-cyclo-[6.4.0.0(1,3)]dodecan-9-one.

Project description:The asymmetric unit of the title compound, C16H24Cl2O2, contains two independent mol-ecules (A and B) which are built from three fused rings, viz. a seven-membered heptane ring, a six-membered cyclo-hexyl ring bearing a ketone and an alcohol group, and a cyclo-propane ring bearing two Cl atoms. In the crystal, the two mol-ecules are linked via two O-H⋯O hydrogen bonds, forming an A-B dimer with an R 2 (2)(10) ring motif. The A mol-ecules of these dimers are linked via a C-H⋯O hydrogen bond, forming chains propagating along the a-axis direction. Both mol-ecules have the same absolute configuration, i.e. 1S,3R,8R,10S, which is based on the synthetic pathway and further confirmed by resonant scattering [Flack parameter = 0.03 (5)].

| S-EPMC4908527 | biostudies-literature

Crystal structure of 3-hy-droxy-2-(4-hy-droxy-3-meth-oxy-phenyl-methyl)-5,5-di-methyl-cyclo-hex-2-enone.

Project description:In the title compound, C16H20O4, a new starting compound for the synthesis of various heterocycles, the partially saturated six-membered ring adopts a sofa conformation. An intra-molecular O-H⋯O hydrogen bond is observed in the guaiacol residue. In the crystal, mol-ecules are assembled into a sheet structure parallel to the ab plane via O-H⋯O hydrogen bonds. The hydrogen-bond pattern is described by an R44(28) graph-set motif. The sheets are further linked by C-H⋯O hydrogen bonds into a three-dimensional network.

| S-EPMC6002819 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data