Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(7R,8S,9S,12S)-1-Benz-yloxy-13,14-didehydro-12-hy-droxy-2,13-dimeth-oxy-N-methyl-morphinane.

ABSTRACT: In the title compound, C(26)H(31)NO(4), a sinomenine derivative, the angle between the two aromatic rings is 53.34?(4)°. The N-containing ring is in a chair conformation, while the other two non-planar rings are in a half-boat conformation. In the crystal, mol-ecules are linked by O-H?N inter-actions into a C(8) chain along [100].

SUBMITTER: Zheng XL

PROVIDER: S-EPMC3201304 | biostudies-literature | 2011 Oct

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

(7R,8S,9S,12S)-1-Benz-yloxy-13,14-didehydro-12-hy-droxy-2,13-dimeth-oxy-N-methyl-morphinane.

Zheng Xing-Liang XL Jiang Ning-Fei NF Luo Dan D Gao Hong-Sheng HS Ding Ai-Shun AS

Acta crystallographica. Section E, Structure reports online 20110917 Pt 10

In the title compound, C(26)H(31)NO(4), a sinomenine derivative, the angle between the two aromatic rings is 53.34 (4)°. The N-containing ring is in a chair conformation, while the other two non-planar rings are in a half-boat conformation. In the crystal, mol-ecules are linked by O-H⋯N inter-actions into a C(8) chain along [100]. ...[more]

PMID: 22058779

Similar Datasets

(7R,8S,9S,12S)-1-(4-Chloro-benz-yloxy)-13,14-didehydro-12-hy-droxy-2,13-dimeth-oxy-N-methyl-morphinane.

Project description:The title compound, C(26)H(30)ClNO(4), a sinomenine derivative, has five six-membered rings, two of which are aromatic, with a dihedral angle of 34.13 (20)° between these. The N-containing ring and the fourth ring exhibit chair conformations, while the fifth ring approximates an envelope conformation. A single inter-molecular O-H⋯N hydrogen-bonding inter-action gives a one-dimensional chain structure which extends along the a axis. The absolute configuration for the mol-ecule has been determined.

| S-EPMC3200812 | biostudies-literature

(8S,9S,10R)-4-(4-Chloro-benz-yloxy)-7,8-didehydro-3,7-dimeth-oxy-17-methyl-morphinan-6-one monohydrate.

Project description:In the title compound, C(26)H(28)Cl(N)O(4)·H(2)O, the dihedral angle betwene the two aromatic rings is 69.73?(6)°. The N-containing ring exhibits a chair conformation, while the other non-aromatic rings are in approximate envelope conformations. In the crystal, the water mol-ecule forms O-H?O and O-H?N hydrogen bonds and a C-H?O link also occurs.

| S-EPMC3089213 | biostudies-literature

(9S,13R,14S)-7,8-Didehydro-4-(4-iodo-benz-yloxy)-3,7-dimeth-oxy-17-methyl-morphinan-6-one monohydrate.

Project description:In the title compound, C(26)H(28)INO(4)·H(2)O, benzene rings are inclined at a dihedral angle of 69.9?(1)°. The N-containing ring exhibits a chair conformation, while the other rings approximate to envelope conformations. In the crystal, the uncoordinated water mol-ecule forms inter-molecular O-H?O and O-H?N hydrogen bonds.

| S-EPMC3009244 | biostudies-literature

(9S,13R,14S)-7,8-Didehydro-4-(4-fluoro-benz-yloxy)-3,7-dimeth-oxy-17-methyl-morphinan-6-one sesquihydrate.

Project description:In the title sinomenine derivative, C(26)H(28)FNO(4)·1.5H(2)O, the dihedral angle between the two aromatic rings is 55.32?(6)°. The N-containing ring has an approximate chair conformation, while other two rings have approximate envelope and half-chair conformations. One water mol-ecule is located on a twofold symmetry axis. In the crystal, the water mol-ecules form O-H?O and O-H?N hydrogen bonds, bridging symmetry-related main mol-ecules.

| S-EPMC3213444 | biostudies-literature

1,2-Bis(benz-yloxy)-1,2-bis-(4-chloro-phen-yl)-3,8-dimeth-oxy-acenaphthene.

Project description:In the title compound, C(40)H(32)Cl(2)O(4), the two chloro-benzene rings are in syn orientations with respect to the naphthalene ring system and make dihedral angles of 57.12?(6) and 85.74?(6)° with it. The benzene rings of the benz-yloxy group make dihedral angles of 75.34?(6) and 83.95?(7)°, with the naphthalene ring system. In the crystal, the mol-ecules are linked by inter-molecular C-H?Cl inter-actions between the methyl-ene H atoms of the benz-yloxy group and the Cl atoms in adjacent mol-ecules. Furthermore, centrosymmetrically related mol-ecules are linked into dimeric units by pairs of C-H?? inter-actions.

| S-EPMC3201419 | biostudies-literature

(1β,2α,3α,7α,11α,13β)-1,3,7,11-Tetra-acet-oxy-2,13-bis-(benz-yloxy)-21-methyl-19,21-secohetisan-19-al hemi-hydrate.

Project description:In the crystal structure of the title compound, C(43)H(46)NO(13)·0.5H(2)O, the mol-ecule assumes a U-shaped conformation, the terminal benzene rings being approximately parallel and partially overlapped with each other. The mol-ecule contains eight alicyclic and heterocyclic rings. The cyclo-hexane rings adopt chair conformations, the other three six-membered carbocyclic rings form a bicyclo-[2.2.2]octane system with a boat conformation for each six-membered ring, the six-membered heterocyclic ring has a chair conformation and both of the five-membered rings have envelope conformations. The solvent water mol-ecule links with the organic mol-ecule via classic O-H⋯O and weak C-H⋯O hydrogen bonding in the crystal structure.

| S-EPMC2969740 | biostudies-literature

1-(Benz-yloxy)naphthalene.

Project description:In the title compound, C(17)H(14)O, the dihedral angle between the naphthyl ring system and the benzyl group is 83.22?(4)°. Both of these moieties are planar, with mean deviations from their least-squares planes, defined by the naphthyl ring C atoms and the O atom, and the phenyl ring C atoms and the benzyl ?-C atom, of 0.0176?(1) and 0.0024?(13)?Å, respectively. The crystal structure is stabilized by C-H?? and ?-? inter-actions [centroid-centroid distance = 3.7817?(10)?Å].

| S-EPMC3257161 | biostudies-literature

4-(Benz-yloxy)benzaldehyde.

Project description:The title compound, C(14)H(12)O(2), has an essentially planar conformation with the two aromatic rings forming a dihedral angle of 5.23?(9)° and the aldehyde group lying in the plane of its aromatic group [maximum deviation = 0.204?(3)?Å]. Weak inter-molecular C-H?O contacts are found to be shortest between the aldehyde O-atom acceptor and the H atoms of the methyl-ene group.

| S-EPMC3007533 | biostudies-literature

(1α,2β,3α,7α,11α,13β)-1,3,11-Triacet-oxy-2,13-bis-(benz-yloxy)-7-hydr-oxy-21-methyl-N,19-secohetisan-19-al.

Project description:The title compound (delgradine), C(41)H(43)NO(12), is a hetisine-type C(20)-diterpenoid alkaloid, isolated from the roots of Aconitum carmichaeli Debx. In the crystal structure, the mol-ecule assumes an U-shaped conformation, the terminal benzene rings being approximately parallel and partially overlapped with each other. The mol-ecule contains eight alicyclic and heterocyclic rings. Cyclo-hexane rings A and B adopt similar chair conformations; the six-membered rings C, D and E form a bicyclo-[2.2.2]octane system with a boat conformation for each six-membered ring, the six-membered heterocyclic ring F has a screw-boat conformation and both of the five-membered rings G and H have envelope conformations. The crystal structure contains inter-molecular O-H⋯O hydrogen bonding.

| S-EPMC2962025 | biostudies-literature

(9S,13R,14R)-7,8-Didehydro-3,4,7-trimeth-oxy-17-methyl-morphinan-6-one.

Project description:The title compound, C(20)H(25)NO(4), was synthesized by a Mitsunobu reaction of sinomenine [(9S,13R,14R)-7,8-didehydro-4-hydroxy-3,7-dimethoxy-17-methylmorphinan-6-one] with methanol. The chiral centers were unchanged during the reaction. Intra-molecular C-H⋯O hydrogen bonds result in the formation of six-membered rings.

| S-EPMC2969083 | 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