(3aR,4R,5R,6aS)-4-((R,E)-3-Hydroxy-4-(3-(trifluoromethyl)phenoxy)but-1-en-1-yl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl [1,1'-biphenyl]-4-carboxylate CAS 114488-91-4

Purity 97%+In StockPharmaceutical Standards
CAS No.114488-91-4
Molecular FormulaC31H27F3O6
Molecular Weight552.54 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

(3aR,4R,5R,6aS)-4-((R,E)-3-Hydroxy-4-(3-(trifluoromethyl)phenoxy)but-1-en-1-yl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl [1,1'-biphenyl]-4-carboxylate CAS 114488-91-4 chemical structure

Description

Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including (3aR,4R,5R,6aS)-4-((R,E)-3-Hydroxy-4-(3-(trifluoromethyl)phenoxy)but-1-en-1-yl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl [1,1'-biphenyl]-4-carboxylate.

(3aR,4R,5R,6aS)-4-((R,E)-3-Hydroxy-4-(3-(trifluoromethyl)phenoxy)but-1-en-1-yl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl [1,1'-biphenyl]-4-carboxylate (CAS 114488-91-4) is a high-purity analytical reference standard with the molecular formula C31H27F3O6 and a molecular weight of 552.54 g/mol.

Owing to a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, a polycyclic aromatic system, (3aR,4R,5R,6aS)-4-((R,E)-3-Hydroxy-4-(3-(trifluoromethyl)phenoxy)but-1-en-1-yl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl [1,1'-biphenyl]-4-carboxylate is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 552.54 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).

This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.

The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.

Physical & Chemical Properties

Molecular FormulaC31H27F3O6
Molecular Weight552.54 g/mol
AppearancePale yellow to yellow crystalline powder. (slight halide-like odor, low volatility)
Purity97%+
StorageStore at room temperature, protect from light, keep sealed and dry
Solubility (reference)Soluble in methanol, acetonitrile, DMSO, water (slightly soluble)
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)17.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1989
Halogen ContentF-containing

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