(3S)-14,16-Dihydroxy-3-methyl-3,4,5,6,9,10,11,12-octahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione (zearalanone) monohydrate
نویسندگان
چکیده
The absolute configuration of the title compound, C(18)H(24)O(5)·H(2)O, was not been determined by anomalous-dispersion effects, but has been assigned by reference to an unchanging chiral centre in the synthetic procedure. Intra-molecular O-H⋯O hydrogen bonds stabilize the mol-ecular conformation. In the crystal, O-H⋯O hydrogen bonds link the main mol-ecules and the water mol-ecules, forming an infinite three-dimensional network.
منابع مشابه
(3S,11Z)-14,16-Dihydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione (cis-zearalenone): a redetermination
The title compound, also known as cis-zearalenone (cis-ZEN), C(18)H(22)O(5), has already been reported elsewhere [Griffin et al. (1981 ▶). ACA Ser.29, 35], but no atomic coordinates are publicly available. The mol-ecule is of inter-est with respect to its toxicity. In the crystal, intra-molecular O-H⋯O hydrogen bonds stabilize the mol-ecular conformation, while inter-molecular O-H⋯O hydrogen bo...
متن کاملE6201 [(3S,4R,5Z,8S,9S,11E)-14-(ethylamino)-8, 9,16-trihydroxy-3,4-dimethyl-3,4,9,19-tetrahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione], a novel kinase inhibitor of mitogen-activated protein kinase/extracellular signal-regulated kinase kinase (MEK)-1 and MEK kinase-1: in vitro characterization of its anti-inflammatory and antihyperproliferative activities.
The goal of this study is to identify a novel inhibitor with anti-inflammatory and antiproliferative properties for the treatment of psoriasis. Compound f152A1 [(3S,5Z,8S,11E)-8,9,16-trihydroxy-14-methoxy-3-methyl-3,4,9,10-tetrahydro-1H-benzo[c][1]oxacyclotetradecine1,7(8H)-dione] was identified as the main active metabolite with strong inhibitory activity against tumor necrosis factor-alpha (T...
متن کامل(3S,4R,4aS,7aR,12bS)-3-Cyclopropylmethyl-4a,9-dihydroxy-3-methyl-7-oxo-2,3,4,4a,5,6,7,7a-octahydro-1H-4,12-methano-1-benzofuro[3,2-e]isoquinolin-3-ium 2,2,2-trifluoroacetate methanol solvate
In the title compound, C(21)H(26)F(3)NO(6) (+)·CF(3)COO(-)·CH(3)OH or S-MNTX·CF(3)COO(-)·CH(3)OH (MNTX = methyl-naltrexone), the conformation of the polycyclic backbone of the noroxy-morphone skeleton can be simplified in terms of the angles between the least-squares planes of these rings. The dihedral angle between the cyclohexene and piperidine rings is 84.5 (6)°, while the dihedral angles be...
متن کامل3,3,6,6-Tetramethyl-9-[6-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)pyridin-2-yl]-2,3,4,5,6,7,8,9-octahydro-1H-xanthene-1,8-dione
In the title mol-ecule, C(39)H(45)NO(6), the two tetra-methyl-octa-hydroxanthen-1,8-dione substituents are arranged approximately parallel to each other and approximately perpendicular to the plane of the pyridine ring. The six-membered xanthene rings adopt flattened boat conformations with the O and methine C atoms deviating from the plane of the other four atoms.
متن کاملBase-Promoted Cascade Transformation of Tetrahydropyrimidinones into Novel Tricyclic bis-Diazepinones
In the presence of strong bases (NaH, DBU, KOH), ethyl 4-chloromethyl-6-methyl-2-oxo1,2,3,4-tetrahydropyrimidine-5-carboxylate and 4-mesyloxymethyl-6-methyl-5-tosyl-1,2,3,4tetrahydropyrimidin-2-one are transformed into novel tricyclic compounds, diethyl 9-methyl-5methylene-3,11-dioxo-2,3,4,5,6a,7,10,11-octahydro-1,6-methano[1,3]diazepino[1,7-e][1,3,5]triazocine-6,8(1H)-dicarboxylate and 9-methy...
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عنوان ژورنال:
دوره 68 شماره
صفحات -
تاریخ انتشار 2012