Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(1S,2S,6S,9S)-6-Methyl-5-oxobicyclo-[4.4.0]decane-2,9-diyl diacetate.

ABSTRACT: The chiral title compound, C(15)H(22)O(5), is an inter-mediate in the total synthesis of biologically active 9,11-secosterols. In the crystal, the cyclo-hexane rings are trans-fused and both adopt chair conformations. In the crystal, mol-ecules are loosely held together in a layer parallel to (100) by weak inter-molcular C-H?O hydrogen bonds accepted by carbonyl O atoms of the acetyl groups.

SUBMITTER: Aav R

PROVIDER: S-EPMC2983288 | biostudies-literature | 2010 Sep

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

(1S,2S,6S,9S)-6-Methyl-5-oxobicyclo-[4.4.0]decane-2,9-diyl diacetate.

Aav Riina R Lippur Kristin K Lopp Margus M Werner Franz F

Acta crystallographica. Section E, Structure reports online 20100918 Pt 10

The chiral title compound, C(15)H(22)O(5), is an inter-mediate in the total synthesis of biologically active 9,11-secosterols. In the crystal, the cyclo-hexane rings are trans-fused and both adopt chair conformations. In the crystal, mol-ecules are loosely held together in a layer parallel to (100) by weak inter-molcular C-H⋯O hydrogen bonds accepted by carbonyl O atoms of the acetyl groups. ...[more]

PMID: 21587566

Similar Datasets

Diaqua-[(1R,2S,4R,8R,9S,11R)-2,9-di-methyl-1,4,8,11-tetra-aza-cyclo-tetra-decane]nickel(II) dichloride dihydrate.

Project description:The crystal structure of the title complex, [Ni(C(12)H(28)N(4))(H(2)O)(2)]Cl(2)·2H(2)O, displays O-H?Cl and O-H?O hydrogen bonding. The tetra-aza-cyclo-tetra-decane ligand inter-acts with the Ni(II) atom in the cis V configuration and the final two ligand binding sites are occupied by water.

| S-EPMC3414157 | biostudies-literature

(6S,7S,8S,8aS)-6-Ethyl-3-oxo-1,2,3,5,6,7,8,8a-octa-hydro-indolizine-7,8-diyl diacetate.

Project description:In the mol-ecular structure of the title compound, C(14)H(21)NO(5), the six-membered ring of the indolizine moiety adopts a chair conformation. There are two independent mol-ecules in the asymmetric unit. The oxopyrrolidine ring attached to the indolizine ring system is nearly planar, with mean deviations of 0.018 (3) and 0.010 (3) Å for the two mol-ecules. The absolute configuration of the title compound was assigned from the synthesis.

| S-EPMC3295453 | biostudies-literature

(2S,6S)-1-Methyl-2,6-trans-distyryl-piperidinium chloride.

Project description:In the crystal structure of the title compound, C(22)H(26)N(+)·Cl(-), the piperidine ring is in a chair conformation and the two styryl groups are in axial and equatorial positions. The mol-ecule has a hydrogen bond between the NH group and the chloride anion.

| S-EPMC2980042 | biostudies-literature

Biphenyl-2,2'-diyl diacetate.

Project description:In the title compound, C(16)H(14)O(4), a derivative of 2,2'-biphenol, the benzene rings are oriented at a dihedral angle of 58.32 (3)°.

| S-EPMC2959795 | biostudies-literature

1-Benzyl-2,5-dioxopyrrolidine-3,4-diyl diacetate.

Project description:The pyrrolidine-2,5-dione ring in the title compound, C(15)H(15)NO(6), is in a twisted conformation with the acetyl C atoms projecting to opposite sides of the ring. The acetyl groups lie to opposite sides of the five-membered ring. The benzene ring is roughly perpendicular to the heterocyclic ring, forming a dihedral angle of 76.57?(14)° with it. In the crystal, mol-ecules are connected through a network of C-H?O and C-H?? inter-actions.

| S-EPMC3011662 | biostudies-literature

(1S,2S,4R)-3,3-Dichloro-4,8,12,12-tetra-methyl-tricyclo-[5.5.0.0]dodeca-6,8-diene.

Project description:The title compound, C(16)H(22)Cl(2), a derivative of β-himachalene, was semi-synthesized from natural essential oils of Cedrus atlantica. The mol-ecule is built up from two fused six- and seven-membered rings. The six-membered ring has a perfect chair conformation, whereas the seven-membered ring displays a screw boat conformation; the dihedral angle between the rings is 46.48 (9)°.

| S-EPMC3007900 | biostudies-literature

(1S,3S,8R,9S,10R)-9,10-Ep-oxy-3,7,7,10-tetra-methyl-tri-cyclo-[6.4.0.0(1,3)]dodeca-ne.

Project description:The title compound, C16H26O, was synthesized by treating (1S,3S,8R)-3,7,7,10-tetra-methyl-tri-cyclo-[6.4.0.0(1,3)]dodec-9-ene with meta-chloro-perbenzoic acid. The mol-ecule is built up from two fused six- and seven-membered rings. The six-membered ring has a half-chair conformation, whereas the seven-membered ring displays a boat conformation. In the crystal, there are no significant intermolecular interactions present.

| S-EPMC3998592 | 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

N,N'-[(1S,2S)-Cyclo-hexane-1,2-di-yl]bis-(4-methyl-benzene-sulfonamide).

Project description:In the title compound, C(20)H(26)N(2)O(4)S(2), the cyclo-hexane ring has a chair conformation. The two chiral C atoms are in S configurations. In the crystal, inter-molecular N-H?O hydrogen bonds link the mol-ecules into chains propagating in [001]. Weak inter-molecular C-H?O hydrogen bonds further stabilize the crystal packing.

| S-EPMC3089204 | biostudies-literature

(1R,2R,3R,4S,5S)-3-Methyl-8-oxa-bicyclo-[3.2.1]oct-6-ene-2,4-diyl diacetate.

Project description:The mol-ecule of the title compound, C(12)H(16)O(5), has crystallographically imposed mirror symmetry with the mirror plane passing through the endocyclic O atom and the mid-point of the double bond. In the crystal, mol-ecules are linked by C-H?O hydrogen bonds, forming chains running along the a axis.

| S-EPMC3213568 | 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