Browse
Submit Data
Databases
API
Help

Dataset Information

13 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

1-(4a,8-Dimethyl-1,2,3,4,4a,5,6,8a-octa-hydro-naphthalen-2-yl)-3-phenyl-prop-2-en-1-one.

ABSTRACT: The title compound, C(21)H(26)O, was semisynthesized 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.

SUBMITTER: Tebbaa M

PROVIDER: S-EPMC3100077 | biostudies-literature | 2011 Apr

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

1-(4a,8-Dimethyl-1,2,3,4,4a,5,6,8a-octa-hydro-naphthalen-2-yl)-3-phenyl-prop-2-en-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 20110326 Pt 4

The title compound, C(21)H(26)O, was semisynthesized 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. ...[more]

PMID: 21754232

Similar Datasets

3-[4-(Dimethyl-amino)-phen-yl]-1-(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(23)H(31)NO, was semisynthesized 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. The dihedral angle between the latter ring and its substituent is 83.6?(7)°.

| S-EPMC3050138 | biostudies-literature

1-(4a,8-Dimethyl-1,2,3,4,4a,5,6,8a-octa-hydro-naphthalen-2-yl)-3-(4-methyl-phen-yl)prop-2-en-1-one.

Project description:The title compound, C(22)H(28)O, was 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 being substituted at position 2 by a 3-(4-methyl-phen-yl)prop-2-enoyl group. In the crystal, weak inter-molecular C-H?O hydrogen bonds link mol-ecules into chains in the [010] direction.

| S-EPMC3120299 | 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

Methyl 2-(1a,4a-dimethyl-2,8-dioxo-2,3,4,4a,5,6,7,8-octa-hydro-1aH-1-oxacyclo-propa[d]naphthalen-7-yl)acrylate.

Project description:The title compound, C(16)H(20)O(5), was synthesized from ilicic acid [2-(8-hy-droxy-4a,8-dimethyl-deca-hydro-naphthalen-2-yl)acrylic acid], which was isolated from the chloro-form extract of the aerial part of Inula viscose (L) Aiton [or Dittrichia viscosa- (L) Greuter]. The molecule is built up from two fused six-membered rings, the epoxidized six-membered ring adopts a half-chair conformation while the other ring displays a perfect chair conformation. The crystal structure features C-H?O hydrogen bonds.

| S-EPMC3275064 | biostudies-literature

Methyl 2-(4a,8-Dimethyl-7-oxodeca-hydro-naphthalen-2-yl)acrylate.

Project description:The title compound, C(16)H(24)O(3), was isolated from the aerial part of Inula Viscosa- (L) Aiton [or Dittrichia Viscosa- (L) Greuter]. The mol-ecule contains two fused (trans) six-membered rings which both exibit a chair conformation. In the crystal, mol-ecules are linked into chains along [100] by weak C-H?O hydrogen bonds involving the methyl and carbonyl groups.

| S-EPMC3414316 | biostudies-literature

(7-Isopropyl-1,4a-dimethyl-1,2,3,4,4a,-9,10,10a-octa-hydro-phenanthren-1-yl)-methanaminium 4-toluene-sulfonate.

Project description:In the title compound, C(20)H(32)N(+)·C(7)H(7)O(3)S(-), the configurations of the two chiral centers observed in the protonated cation are consistent with previous reports. In the crystal structure, weak inter-molecular N-H?O hydrogen bonds link ions into chains which develop along the a axis. The isopropyl group and four CH groups of the attached benzene ring are disordered approximately equally over two positions.

| S-EPMC2961293 | biostudies-other

(E)-(4-Chloro-benzyl-idene){[(1R,4aS,10aR)-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octa-hydro-1-phenanthryl]-methyl}amine.

Project description:The title compound, C(27)H(34)ClN, has been synthesized from 4-chloro-benzaldehyde and dehydro-abietylamine. There are two unique mol-ecules in the unit cell. Each mol-ecule has three chiral centres, which exhibit R, S and R absolute configurations. The two cyclo-hexane rings form a trans ring junction with classical chair and half-chair conformations.

| S-EPMC2977794 | biostudies-literature

3-[4-(Dimethyl-amino)phenyl]-1-(3-pyridyl)prop-2-en-1-one.

Project description:The pyridyl and aryl rings in the title compound, C(16)H(16)N(2)O, which are located at the ends of the propenone unit, are inclined at an angle of 17.1?(1)° with respect to each other.

| S-EPMC2977746 | biostudies-literature

(2E)-1-(2,4-Dimethyl-quinolin-3-yl)-3-phenyl-prop-2-en-1-one.

Project description:Two independent mol-ecules comprise the asymmetric unit of the title compound, C20H17NO, which differ in the orientation of the terminal phenyl ring with respect to the quinoline ring [the dihedral angles are 75.72?(11) and 84.53?(12)° for the two mol-ecules]. The conformation about each of the ethyl-ene bonds [1.329?(3) and 1.318?(3)?Å] is E. The crystal structure features a combination of C-H?N, C-H?? and ?-? contacts [inter-centroid between the phenyl ring and the quinoline benzene ring is 3.6024?(19)?Å], generating a three-dimensional network.

| S-EPMC3588443 | biostudies-literature

(E)-1-(Naphthalen-1-yl)-3-(1-phenyl-1H-pyrazol-4-yl)prop-2-en-1-one.

Project description:In the title mol-ecule, C(22)H(16)N(2)O, the phenyl ring is twisted slightly with respect to the plane of the central pyrazole ring [dihedral angle = 14.8?(2)°]; the central ring is connected to the naphthyl ring through a -CH=CH-C(=O)- fragment, whose C=C double bond has an E configuration. The pyrazole ring and naphthalene ring system are twisted by 46.3?(1)°. Weak inter-molecular C-H?O hydrogen bonds link the mol-ecules, forming supra-molecular chains running along the a axis. The crystal studied was a non-merohedral twin with a component ratio of 0.544?(2):0.456?(2).

| S-EPMC3201529 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

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