Browse
Submit Data
Databases
API
Help

Dataset Information

9 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(3aR,8aS,9S,9aR)-9-Hydroxy-perhydro-furo[3,2-f]indolizin-6-one.

ABSTRACT: In the title compound, C(10)H(15)NO(3), the central six-membered ring of the indolizine system adopts a chair conformation, while the oxopyrrolidine and hydro-furan rings attached to the indolizine ring system have envelope conformations. In the crystal, the mol-ecules form chains parallel to the b axis via inter-molecular O-H?O hydrogen bonds. The absolute configuration was assigned from the synthesis.

SUBMITTER: Svorc L

PROVIDER: S-EPMC2977186 | biostudies-other | 2009

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

(3aR,8aS,9S,9aR)-9-Hydroxy-perhydro-furo[3,2-f]indolizin-6-one.

Svorc Lubomír L Vrábel Viktor V Zúžiová Jozefína J Marchalín Stefan S Kožíšek Jozef J

Acta crystallographica. Section E, Structure reports online 20090701 Pt 8

In the title compound, C(10)H(15)NO(3), the central six-membered ring of the indolizine system adopts a chair conformation, while the oxopyrrolidine and hydro-furan rings attached to the indolizine ring system have envelope conformations. In the crystal, the mol-ecules form chains parallel to the b axis via inter-molecular O-H⋯O hydrogen bonds. The absolute configuration was assigned from the synthesis. ...[more]

PMID: 21583447

Similar Datasets

(7R,8S,8aS)-8-Hydr-oxy-7-phenyl-perhydro-indolizin-3-one.

Project description:In the title compound, C(14)H(17)NO(2), the six-membered ring of the indolizine system adopts a chair conformation. In the crystal, mol-ecules form chains parallel to the b axis via inter-molecular O-H?O hydrogen bonds. The absolute mol-ecular configuration was assigned from the synthesis.

| S-EPMC2969627 | biostudies-literature

rac-(3aR,6aR)-(E)-Methyl 2-(3a-methyl-perhydro-furo[3,2-b]furan-2-yl-idene)acetate.

Project description:The constitution and relative configuration at the stereogenic centres and stereochemistry of the C-C double bond formed during Pd(II)-catalysed domino reaction was established by X-ray analysis of the title compound, C(10)H(14)O(4). The asymmetric unit contains two mol-ecules.

| S-EPMC3007948 | biostudies-literature

(8aS)-7,8,8a,9-Tetra-hydro-thieno[3,2-f]indolizin-6(4H)-one.

Project description:In the mol-ecular structure of the title compound, C(10)H(11)NOS, the central six-membered ring of the indolizine unit adopts an envelope conformation, the maximum deviations from the mean plane of the ring being 0.533?(2)?Å. The fused thieno ring is nearly coplanar [mean deviation = 0.007?(2)?Å]. The conformation of the fused oxopyrrolidine ring is close to that of a flat-envelope, with a maximum deviation of 0.339?(3)?Å. The crystal structure is stabilized by C-H?O hydrogen bonds.

| S-EPMC2968850 | biostudies-other

(8aR,9R)-9-Hy-droxy-7,8,8a,9-tetra-hydro-furo[3,2-f]indolizin-6(4H)-one.

Project description:The title compound, C(10)H(11)NO(3), crystallizes with four independent mol-ecules in the asymmetric unit. Their geometries are very similar and corresponding bond distances are almost identical. The central six-membered ring of the indolizine moiety adopts a envelope conformation [the displacement of the flap atom (the C atom opposite the N atom) being 0.539?(2), 0.548?(3), 0.509?(3) and 0.544?(3)?Å in the four molecules], while the conformation of the oxopyrrolidine ring is close to that of a flat envelope. The displacements of the non-fused C atom opposite the C=O group of the pyrrolidine ring of the four mol-ecules are 0.366?(3), 0.335?(3), 0.173?(3) and -0.310?(3)?Å. In the crystal, O-H?O hydrogen bonds link the mol-ecules into chains, which run parallel to the c axis. The absolute configuration was assigned from the synthesis.

| S-EPMC3470388 | biostudies-literature

(3R,3aR,6R,6aR)-Hexa-hydro-furo[3,2-b]furan-3,6-diyl dibenzoate.

Project description:The title compound, C20H18O6, prepared from d-mannitol by a two-step procedure, is a functionalized fused bis-tetra-hydro-furan. In the central fragment, consisting of two fused tetra-hydro-furan rings, one O atom and its two adjacent C atoms, a methyl-ene and a bridgehead C atom, are disordered over two sets of sites with an occupancy ratio of 0.735?(9):0.265?(9). In the major component, the ring containing the disordered O atom is a half-chair conformation with twisted methylene and benzoate-substituted C atoms, whereas the other ring has a half-chair or T-form conformation. In the minor component, the ring with the disordered O atom has an envelope conformation, with the O atom as the flap, and the other ring has a half-chair conformation, with the O atom and the other bridgehead CH atom being twisted. The two aromatic rings are inclined to one another by 20.00?(12)°. In the crystal, adjacent molecules are linked via C-H?? interactions, forming chains propagating along [010].

| S-EPMC3884481 | biostudies-literature

[(2S,3aR,6aR)-5-Oxohexa-hydro-furo[3,2-b]furan-2-yl]methyl acetate.

Project description:The title compound, C9H12O5, is a bicyclic lactone, presenting a 2,6-dioxabi-cyclo-[3.3.0]octan-3-one skeleton, which was obtained through an intra-molecular lactonization. The bicyclic lactone presents a cis ring-junction and a 1,5-trans-substituted tetra-hydro-furan. Both five-membered rings are in twisted envelope conformations with one of the fused C atoms as the flap. The dihedral angle between the mean planes of the bicyclic lactone residue, defined by the di-hydro-furan-2(3H)-one and the tetra-hydro-furan rings, is 69.5?(2)°. The atoms of the ester chain are coplanar [maximum deviation = 0.013?(2)?Å]. The absolute structure was not determined.

| S-EPMC3648296 | biostudies-literature

(3R,3aS,6R,6aR)-3-(1-Nitro-eth-yl)perhydro-furo[3,2-b]furan-3,6-diol.

Project description:The mol-ecule of the title compound, C(8)H(13)NO(6), a sucrose derivative, consists of two fused tetra-hydro-furan rings having the cis arrangement at the ring junctions, giving a V-shaped mol-ecule. An intra-molecular O-H?O inter-action occurs. Inter-molecular O-H?O hydrogen bonds help to stabilize the crystal structure.

| S-EPMC3007024 | biostudies-literature

(11aS)-1,5,11,11a-Tetra-hydro-1-benzo-thieno[3,2-f]indolizin-3(2H)-one.

Project description:The absolute configuration of the title compound, C14H13NOS, was assigned from the synthesis and confirmed by the structure determination. There are two independent mol-ecules in the asymmetric unit. The central six-membered ring of the indolizine moiety adopts an envelope conformation, with the greatest deviations from the mean planes being 0.569?(3) and 0.561?(3)?Å for the indolizine bridgehead C atoms of the two mol-ecules. The benzothieno ring attached to the indolizine ring system is planar to within 0.015?(3)?Å in both mol-ecules. In the crystal, weak C-H?O and C-H?? inter-actions lead to the formation of a three-dimensional framework structure.

| S-EPMC3885070 | biostudies-literature

(6S,7S,8S,8aS)-6-Ethyl-7,8-dihy-droxy-1,5,6,7,8,8a-hexa-hydro-indolizin-3(2H)-one monohydrate.

Project description:The absolute configuration of the title compound, C(10)H(17)NO(3)·H(2)O, was assigned from the synthesis. In the mol-ecular structure, the central six-membered ring of the indolizine moiety adopts a chair conformation, with two atoms displaced by -0.578?(2) and 0.651?(1)?Å from the plane of the other four atoms [maximum deviation 0.019?(2)?Å] The conformation of the fused oxopyrrolidine ring is close to that of a flat envelope, with the flap atom displaced by 0.294?(1)?Å from the plane through the remaining four atoms. In the crystal, one of the hy-droxy groups is hydrogen-bonded to two water mol-ecules, while the other hy-droxy group exhibits an inter-molecular hydrogen bond to the carbonyl O atom, resulting in a chain parallel to the b axis.

| S-EPMC3011597 | biostudies-literature

(3aR*,7aS*)-1-(p-Tolyl-sulfon-yl)perhydro-indol-2-one.

Project description:In the racemic title compound, C(15)H(19)NO(3)S, the dihedral angle between the planes of the benzene ring and the O=S=O group is 56.92?(7)° and the cyclo-hexane ring adopts a chair conformation.

| S-EPMC2979223 | biostudies-other

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