Browse
Submit Data
Databases
API
Help

Dataset Information

9 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(11R,13R)-13-(Tetra-lin-1-ylamino)-4,5-ep-oxy-11,13-dihydro-costunolide.

ABSTRACT: THE TITLE COMPOUND [SYSTEMATIC NAME: (12R)-4,8-dimethyl-12-[(1'R)-1',2',3',4'-tetrahydro-1'-naphthyl)aminomethyl]-3,14-dioxatricyclo[9.3.0.0(2,4)]tetradec-7-en-13-one}, C(25)H(33)NO(3), was formed from the reaction of (1R)-1-amino-tetra-lin with parthenolide in methano-lic solution. X-ray crystal structure analysis determined that the configuration of the new chiral center in the title compound was R.

SUBMITTER: Nasim S

PROVIDER: S-EPMC2960798 | biostudies-other | 2008

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

(11R,13R)-13-(Tetra-lin-1-ylamino)-4,5-ep-oxy-11,13-dihydro-costunolide.

Nasim Shama S Parkin Sean S Crooks Peter A PA

Acta crystallographica. Section E, Structure reports online 20080229 Pt 3

THE TITLE COMPOUND [SYSTEMATIC NAME: (12R)-4,8-dimethyl-12-[(1'R)-1',2',3',4'-tetrahydro-1'-naphthyl)aminomethyl]-3,14-dioxatricyclo[9.3.0.0(2,4)]tetradec-7-en-13-one}, C(25)H(33)NO(3), was formed from the reaction of (1R)-1-amino-tetra-lin with parthenolide in methano-lic solution. X-ray crystal structure analysis determined that the configuration of the new chiral center in the title compound was R. ...[more]

PMID: 21201970

Similar Datasets

(11R)-13-[2-(4-Hydroxy-phen-yl)ethyl-amino]-4,5-ep-oxy-11,13-dihydro-costunolide monohydrate.

Project description:THE TITLE COMPOUND (SYSTEMATIC NAME: 12-{[2-(4-hydroxyphenyl)ethyl]aminomethyl}-4,8-dimethyl-3,14-dioxatricyclo[9.3.0.0(2,4)]tetradec-7-en-13-one monohydrate), C(23)H(31)NO(4)·H(2)O, was obtained by the reaction of tyramine with parthenolide. The configuration of the new chiral center in the title compound is R, establishing the stereospecificity of the amination reaction. The water molecule is disordered over three positions; the site occupancy factors are 0.45, 0.40 and 0.15.

| S-EPMC2960819 | biostudies-other

(11R)-13-Dimethyl-ammonio-11,13-dihydro-4,5-epoxy-costunolide semifumarate.

Project description:Crystals of the title salt, C(17)H(28)NO(3) (+)·C(4)H(3)O(4) (-), were obtained by reacting parthenolide with dimethyl-amine followed by conversion of the amine adduct into a water-soluble fumarate salt. Subsequent crystallization of the fumarate salt from water afforded colorless ortho-rhom-bic crystals. The amine addition is highly stereospecific yielding exclusively a single diastereomer with R-configuration at the newly formed C-11 chiral carbon. In the crystal, intermolecular O-H?O and N-H?O hydrogen bonds help to establish the packing.

| S-EPMC2969377 | biostudies-literature

Methyl 2-{[2-(4,4,5,5-tetra-methyl-1,3-dioxyl-4,5-dihydro-imidazol-2-yl)phen-yl]-oxy}acetate.

Project description:In the title compound, C(16)H(21)N(2)O(5), the benzene ring is nearly perpendicular to the imidazole ring, making a torsion angle of 88.6?(8)°·The crystal structure is stabilized by non-classical C-H?O and C-H?? inter-actions, which build up a three-dimensional network.

| S-EPMC3254550 | biostudies-literature

6?,15?-Diacet-oxy-1?,7?,13?-trihydr-oxy-7?,20-ep-oxy-ent-kaur-16-ene.

Project description:The title compound, C(24)H(34)O(8), a natural ent-kaurane diterpenoid, is composed of four rings with the expected cis and trans junctions. The crystal structure is stabilized by inter-molecular O-H?O hydrogen bonds. In addition, an intra-molecular O-H?O hydrogen bond occurs.

| S-EPMC2979703 | biostudies-literature

(20R,24R,25S)-3?,7?,12?,27-Tetra-acet-oxy-24,26-ep-oxy-5?-cholestane.

Project description:In the title anhydro-scymnol tetra-acetate, C(35)H(54)O(9), the fused chair conformation of the cyclo-hexane A/B ring junction is cis with a 5?-H configuration. The compound has a trimethyl-ene oxide ring at position 24,26 and four acetate groups at the 3?,7?,12?,27 positions.

| S-EPMC2977710 | biostudies-literature

3,5-Bis(4-meth-oxy-phen-yl)-4,5-dihydro-isoxazole.

Project description:In the title compound, C(17)H(17)NO(3), the five-membered isoxazoline ring adopts an envelope conformation with the chiral C atom at the flap position and 0.133?(2)?Å out of the mean plane formed by the other four atoms. The two benzene rings form dihedral angles of 6.05?(5) and 81.52?(5)° with the C-C-N-O plane of the isoxazoline ring. The crystal structure is stabilized by weak C-H?O hydrogen bonds and C-H?? inter-actions.

| S-EPMC3213434 | biostudies-literature

6β-Acet-oxy-1α,7β,11β,15β-tetra-hydr-oxy-7α,20-ep-oxy-ent-kaur-16-ene.

Project description:The title compound, C(22)H(32)O(7), a natural ent-kaurane diterpenoid also referred to as Maoyecrystal F, was obtained from the medicinal plant Isodon nervosa. There are four rings with the expected cis and trans junctions. Cyclohexane ring A adopts a chair conformation, rings B and C adopt boat conformations, while the five-membered ring has an envelope conformation. The mol-ecules stack along the a axis in the crystal and are linked together by inter-molecular O-H⋯O hydrogen bonds.

| S-EPMC2979918 | biostudies-literature

5,8-Dimeth-oxy-3,9-dimethyl-3a,4,9,9a-tetra-hydro-4,9-ep-oxy-naphtho-[2,3-d]isoxazole.

Project description:The title compound, C15H17NO4, is the exo isomer with a syn arrangement of the O atom in the isoxazole ring to the methyl group of the bicyclic alkene. The dihedral angle between the isoxazole ring and the benzene ring is 7.42?(9)°. In the crystal, weak C-H?O hydrogen bonds link mol-ecules, forming a three-dimensional network. The isoxazole O atom is an acceptor for both weak hydrogen bonds.

| S-EPMC4011229 | biostudies-literature

4?,6?-Dihy-droxy-1?-methyl-sulfonyl-8?,9?-ep-oxy-2?,12-epoxymethano-?-dihydro-agarofuran.

Project description:The title mol-ecule, C(16)H(24)O(8)S, is a dihydro-agrofuran derivative and has a heteropolycyclic structure. One cyclohexane ring exhibits a chair conformation and the other a non-chair conformation. In the crystal structure there is an inter-molecular C-H?O hydrogen-bonding inter-action to stabilize the packing.

| S-EPMC3200600 | biostudies-literature

3,5-Bis(4-meth-oxy-phen-yl)-1-phenyl-4,5-dihydro-1H-pyrazole.

Project description:In the title compound, C(23)H(22)N(2)O(2), the central pyrazole ring is nearly planar (r.m.s. deviation = 0.046?Å) and it makes a dihedral angle of 18.5?(2)° with the phenyl ring. The dihedral angles between the phenyl and the two meth-oxy-substituted phenyl rings are 26.2?(2) and 80.6?(2)°. The crystal structure is stabilized by C-H?? stacking inter-actions and weak ?-? inter-actions [centriod-centroid distance = 3.891?(2)?Å].

| S-EPMC3051598 | 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