Browse
Submit Data
Databases
API
Help

Dataset Information

14 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

3-Hydr-oxy-3a,6,8c-trimethyl-perhydro-oxireno[2',3':7,8]naphtho[1,2-b]furan-7(2H)-one.

ABSTRACT: The title compound, C(15)H(22)O(4), consists of two trans-fused six-membered rings and a trans-fused five-membered ?-lactone. The ep-oxy and hydroxyl groups are ?-oriented. The cyclo-hexane rings adopt half-chair and chair conformations and the lactone ring is in an envelope conformation. The mol-ecular structure is stabilized by one O-H?O and three C-H?O intra-molecular hydrogen bonds.

SUBMITTER: Kesternich V

PROVIDER: S-EPMC2977239 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

8-[(2-Hy-droxy-phen-yl)imino]-3,5a,9-trimethyl-3a,4,5,5a,8,9b-hexa-hydro-naphtho-[1,2-b]furan-2(3H)-one.

Project description:The title compound, C(21)H(23)NO(3), is a phenyl-imine derivative of the well known anthelmintic agent α-santonin. The trans-fused cyclo-hexane and γ-lactone rings of the α-santonin ring system adopt chair and envelope conformations, respectively, whereas the hexa-diene ring is approximately planar [maximum deviation = 0.029 (4) Å] and forms a dihedral angle of 62.30 (11)° with the benzene ring. An intra-molecular O-H⋯N hydrogen bond is observed.

| S-EPMC3393965 | biostudies-literature

6,6,9a-Trimethyl-5,5a,6,7,8,9,9a,9b-octa-hydro-naphtho[1,2-c]furan-1(3H)-one.

Project description:In the crystal structure of the title compound, C(15)H(22)O(2), the cyclo-hexene and cyclo-hexane rings adopt half-boat and chair conformations, respectively, and the lactone ring is in an envelope conformation.

| S-EPMC2960948 | biostudies-literature

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

Project description:The asymmetric unit of the title compound, C(10)H(9)NO(5)S, contains two independent mol-ecules. The heterocyclic thia-zine rings in both mol-ecules adopt half-chair conformations, with the S atoms in each mol-ecule displaced by 0.455?(3) and 0.539?(3)?Å and the N atoms displaced in the opposite direction by 0.214?(3) and 0.203?(3)?Å, from the planes defined by the remaining ring atoms. The crystal structure is stabilized by O-H?O, N-H?O and C-H?O hydrogen bonds involving both inter- and intra-molecular inter-actions.

| S-EPMC2959412 | biostudies-literature

3-Benzoyl-4-hydr-oxy-2-methyl-2H-1,2-benzothia-zine 1,1-dioxide.

Project description:In the title mol-ecule, C(16)H(13)NO(4)S, the heterocyclic thia-zine ring adopts a half-chair conformation with the S and N atoms displaced by 0.410 (3) and 0.299 (3) Å, respectively, on opposite sides of the mean plane formed by the remaining ring atoms. The crystal structure is stabilized by inter-molecular hydrogen bonds of the types O-H⋯O and C-H⋯O; the former result in dimers lying about inversion centers and the latter form chains of mol-ecules running along the c axis. In addition, intra-molecular O-H⋯O links are present.

| S-EPMC2983979 | biostudies-literature

5-Hydr-oxy-1-(3-hydr-oxy-2-naphtho-yl)-3,5-dimethyl-2-pyrazoline.

Project description:In the title mol-ecule, C(16)H(16)N(2)O(3), intra-molecular O-H?O hydrogen bonds influence the mol-ecular conformation. Inter-molecular O-H?O hydrogen bonds [O?O = 2.922?(2)?Å] link the mol-ecules into centrosymmetric dimers. Weak inter-molecular C-H?O inter-actions assemble these dimers into layers parallel to the bc plane.

| S-EPMC2962119 | biostudies-literature

3-(3-Chloro-benzo-yl)-4-hydr-oxy-2H-1,2-benzothia-zine 1,1-dioxide.

Project description:In the title compound, C(15)H(10)ClNO(4)S, the heterocyclic thia-zine ring adopts a half-chair conformation with the S and N atoms displaced by 0.476?(5) and 0.227?(5)?Å, respectively, on opposite sides of the mean plane formed by the remaining ring atoms. The structure is stabilized by inter-molecular N-H?O and C-H?O hydrogen bonds. In addition, intra-molecular O-H?O and C-H?N inter-actions are also present.

| S-EPMC2984067 | biostudies-literature

Methyl 4-hydr-oxy-2-propyl-2H-1,2-benzothia-zine-3-carboxyl-ate 1,1-dioxide.

Project description:In the title compound, C(13)H(15)NO(5)S, the thia-zine ring adopts a distorted half-chair conformation. The enolic H atom is involved in an intra-molecular O-H?O hydrogen bond, forming a six-membered ring. In the crystal, mol-ecules are linked through weak inter-molecular C-H?O hydrogen bonds, resulting in zigzag chains lying along the c axis.

| S-EPMC2972157 | biostudies-literature

Methyl 2-acetonyl-4-hydr-oxy-2H-1,2-benzothia-zine-3-carboxyl-ate 1,1-dioxide.

Project description:In the mol-ecule of the title compound, C(13)H(13)NO(6)S, the thia-zine ring adopts a distorted sofa conformation. The enolic H atom is involved in intra-molecular O-H?O hydrogen bonding besides the weaker C-H?O=S and C-H?O=C inter-actions.

| S-EPMC2962253 | biostudies-literature

1-(4-Hydr-oxy-2-methyl-1,1-dioxo-2H-1,2-benzothia-zin-3-yl)ethanone.

Project description:In the title compound, C(11)H(11)NO(4)S, the thia-zine ring adopts a distorted half-chair conformation. The enolic H atom is involved in an intra-molecular O-H?O hydrogen bond, forming a six-membered ring. Mol-ecules are linked through weak inter-molecular C-H?O hydrogen bonds, resulting in chains lying along the b axis.

| S-EPMC2961329 | biostudies-literature

N-Butyl-4-hydr-oxy-2-methyl-2H-1,2-benzothia-zine-3-carboxamide 1,1-dioxide.

Project description:The title compound, C(14)H(18)N(2)O(4)S, contains hydrogen-bonded dimeric pairs of mol-ecules arranged around inversion centers, forming 14-membered rings with an R(2) (2)(14) motif. The structure is stabilized by extensive intra-molecular inter-actions. The thia-zine ring adopts a half-chair conformation, with the S and N atoms displaced by -0.485?(3) and 0.296?(3)?Å, respectively, from the plane formed by the remaining atoms of the ring.

| S-EPMC2961640 | biostudies-literature

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