Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Methyl 3-acet-oxy-3-dehydroxy-ursolate.

ABSTRACT: Four of the five six-membered rings of the title penta-cyclic triterpene, C(33)H(52)O(4), adopt chair conformations; the fifth, which has a C=C double bond, adopts an approximate envelope conformation.

SUBMITTER: Abdullah NH

PROVIDER: S-EPMC2969982 | biostudies-literature | 2009 Aug

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Methyl 3-acet-oxy-3-dehydroxy-ursolate.

Abdullah Nor Hayati NH Awang Khalijah K Thomas Noel F NF Ng Seik Weng SW

Acta crystallographica. Section E, Structure reports online 20090808 Pt 9

Four of the five six-membered rings of the title penta-cyclic triterpene, C(33)H(52)O(4), adopt chair conformations; the fifth, which has a C=C double bond, adopts an approximate envelope conformation. ...[more]

PMID: 21577529

Similar Datasets

Crystal structure of 3-acet-oxy-2-methyl-benzoic acid.

Project description:In the title mol-ecule, C10H10O4, the carb-oxy-lic acid group is twisted by 11.37 (15)° from the plane of the benzene ring and the acet-oxy group is twisted from this plane by 86.60 (17)°. In the crystal, mol-ecules are linked by pairs of O-H⋯O hydrogen bonds, forming inversion dimers with the expected R 2 (2)(8) graph-set motif.

| S-EPMC4518910 | biostudies-literature

Methyl 4-acet-oxy-2-methyl-2H-1,2-benzothia-zine-3-carboxyl-ate 1,1-dioxide.

Project description:In the title compound, C(13)H(13)NO(6)S, the thia-zine ring adopts a distorted half-chair conformation. Each mol-ecule is linked to its neighbour through inter-molecular C-H?O hydrogen bonds.

| S-EPMC2960850 | biostudies-other

17?-Acet-oxy-11?-hy-droxy-6?-methyl-pregn-4-ene-3,20-dione.

Project description:The title compound, C(24)H(34)O(5), a fungal-transformed metabolite of the injecta-ble contraceptive medroxyprogesterone acetate, consists of four fused rings (A, B, C and D; steroid labelling). Ring A exists in a half-chair conformation while trans-fused rings B and C adopt chair conformations. The five-membered ring D adopts an envelope conformation with the C atom bound to the methyl group at the flap. In the crystal, adjacent mol-ecules are linked by O-H?O and C-H?O hydrogen bonds, forming infinite chains along the a axis.

| S-EPMC3393278 | biostudies-other

Ethyl 4-acetamido-3-acet-oxy-2-benzyl-3-methyl-butano-ate.

Project description:The crystal structure of the title compound, C(18)H(25)NO(5), is stabilized by inter-molecular N-H⋯O hydrogen bonds, which form inversion dimers. The ethyl group is disordered over two positions in a 0.651 (12):0.349 (12) ratio.

| S-EPMC3239054 | biostudies-literature

4-(7-Acet-oxy-6-meth-oxy-4-methyl-2-oxo-2H-chromen-3-yl)phenyl acetate.

Project description:The title compound, C(21)H(18)O(7), is an important inter-mediate in the synthesis of 3-(4-hydroxy-phen-yl)-4-methyl-6-meth-oxy-7-hydroxy-coumarin, which is a nonsteroidal analogue of 2-methoxy-estradiol (2-ME). The substituent benzene ring is not in the same plane as the coumarin ring system, with a dihedral angle of 66.88 (10)°. There are some weak inter-molecular C-H⋯O inter-actions. One carbonyl O atom is disordered over two sites, with occupancies of 0.6 and 0.4.

| S-EPMC2961866 | biostudies-literature

Acet-oxy-γ-valerolactone.

Project description:Levulinyl cellulose esters have been produced as an effective renewable binder for architectural coatings. The title compound, C7H10O4 (systematic name: 2-methyl-5-oxo-tetra-hydro-furan-2-yl acetate), assigned as the esterifying species, was isolated and crystallized to confirm the structure. In the crystal, the mol-ecules pack in layers parallel to (102) utilizing weak C-H⋯O inter-actions.

| S-EPMC3685093 | biostudies-literature

2-[5-Methyl-2-(propan-2-yl)phen-oxy]-N'-{2-[5-methyl-2-(propan-2-yl)phen-oxy]acet-yl}acetohydrazide.

Project description:The complete mol-ecule of the title compound, C(24)H(32)N(2)O(4), is generated by a crystallographic inversion center. The 1,2-diethyl-hydrazine moiety is nearly planar, with a maximum deviation of 0.024 (1) Å, and is inclined at a dihedral angle of 54.20 (4)° with the phenyl ring. In the crystal, [001] chains are formed, with adjacent mol-ecules in the chain linked by pair of inter-molecular N-H⋯O hydrogen bonds, generating R(2) (2)(10) ring motifs. Inter-molecular C-H⋯O hydrogen bonds and C-H⋯π inter-actions are also observed.

| S-EPMC3200946 | biostudies-literature

Poly[(μ-2-acet-oxy-benzoato)(2-acet-oxy-benzoato)-μ-aqua-mercury(II)].

Project description:In the title compound, [Hg(C(9)H(7)O(4))(2)(H(2)O)](n), the Hg(II) ion is five-coordinated by three acetylsalicylate anions and water leading to the formation of a coordination polymer extending parallel to (001). O-H⋯O and C-H⋯O hydrogen bonds are effective in the stabilization of the crystal structure.

| S-EPMC3212253 | biostudies-literature

Methyl 2-{N-[2-(2,4-dichloro-phen-oxy)acet-yl]-4-[(4,6-dimeth-oxy-pyrimidin-2-yl)-oxy]anilino}propano-ate.

Project description:In the title mol-ecule, C(24)H(23)Cl(2)N(3)O(7), the central benzene ring forms dihedral angles of 65.71 (1) and 44.42 (1)° with the pyrimidine ring and the terminal benzene ring, respectively. In the crystal, molecules are linked via C-H⋯O hydrogen bonds.

| S-EPMC3393314 | biostudies-literature

(1R,3S,5R,6S)-6-Acet-oxy-3-(4-methyl-phenyl-sulfon-yloxy)tropane.

Project description:IN THE TITLE COMPOUND [SYSTEMATIC NAME: (1R,3S,5R,6S)-8-methyl-3-(4-methyl-phenyl-sulfon-yloxy)-8-aza-bicyclo-[3.2.1]octan-6-yl acetate], C(17)H(23)NO(5)S, the fused piperidine ring exists in a chair conformation with the N atom and one C atom displaced by 0.876 (2) and -0.460 (3) Å, respectively, on opposite sides of the mean plane defined by the other four atoms. The fused pyrrolidine ring adopts an envelope conformation with the N atom deviating by 0.644 (3) Å from the mean plane of the other four atoms.

| S-EPMC2960129 | 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