(E)-5-((3AR,4R,5R,6aS)-3,3-difluoro-5-hydroxy-4-((3S,4S,E)-3-hydroxy-4-methylnon-1-en-6-yn-1-yl)hexahydro-2H-cyclopenta[b]furan-2-ylidene)pentanoic acid CAS 788799-13-3

Purity 97%+In StockPharmaceutical Standards
CAS No.788799-13-3
Molecular FormulaC22H30F2O5
Molecular Weight412.47 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

(E)-5-((3AR,4R,5R,6aS)-3,3-difluoro-5-hydroxy-4-((3S,4S,E)-3-hydroxy-4-methylnon-1-en-6-yn-1-yl)hexahydro-2H-cyclopenta[b]furan-2-ylidene)pentanoic acid CAS 788799-13-3 chemical structure

Description

The occurrence of (E)-5-((3AR,4R,5R,6aS)-3,3-difluoro-5-hydroxy-4-((3S,4S,E)-3-hydroxy-4-methylnon-1-en-6-yn-1-yl)hexahydro-2H-cyclopenta[b]furan-2-ylidene)pentanoic acid is closely related to a flavonoid core, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

CATO supplies (E)-5-((3AR,4R,5R,6aS)-3,3-difluoro-5-hydroxy-4-((3S,4S,E)-3-hydroxy-4-methylnon-1-en-6-yn-1-yl)hexahydro-2H-cyclopenta[b]furan-2-ylidene)pentanoic acid (CAS 788799-13-3), a certified reference material (molecular formula C22H30F2O5, MW 412.47 g/mol) for analytical method development and quality control.

(E)-5-((3AR,4R,5R,6aS)-3,3-difluoro-5-hydroxy-4-((3S,4S,E)-3-hydroxy-4-methylnon-1-en-6-yn-1-yl)hexahydro-2H-cyclopenta[b]furan-2-ylidene)pentanoic acid (C22H30F2O5) contains a flavonoid core, a hydroxyl group, an ether linkage, fluorine substitution. Halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).

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.

As a certified reference material (CRM), (E)-5-((3AR,4R,5R,6aS)-3,3-difluoro-5-hydroxy-4-((3S,4S,E)-3-hydroxy-4-methylnon-1-en-6-yn-1-yl)hexahydro-2H-cyclopenta[b]furan-2-ylidene)pentanoic acid meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.

Physical & Chemical Properties

Molecular FormulaC22H30F2O5
Molecular Weight412.47 g/mol
AppearanceOff-white to pale 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)7.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1986
Halogen ContentF-containing

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