(3AR,4R,5R,6aS)-4-((R,E)-4-(3-Chlorophenoxy)-3-hydroxybut-1-en-1-yl)-5-hydroxyhexahydro-2H-cyclopenta[b]furan-2-one CAS 53906-54-0
| CAS No. | 53906-54-0 |
| Molecular Formula | C17H19ClO5 |
| Molecular Weight | 338.78 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
(3AR,4R,5R,6aS)-4-((R,E)-4-(3-Chlorophenoxy)-3-hydroxybut-1-en-1-yl)-5-hydroxyhexahydro-2H-cyclopenta[b]furan-2-one (CAS 53906-54-0), molecular formula C17H19ClO5 and molecular weight 338.78 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, (3AR,4R,5R,6aS)-4-((R,E)-4-(3-Chlorophenoxy)-3-hydroxybut-1-en-1-yl)-5-hydroxyhexahydro-2H-cyclopenta[b]furan-2-one (C17H19ClO5) contains a flavonoid core, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 8.0, corresponding to approximately 8 ring(s) or double-bond equivalent(s). With a molecular weight of 338.78 g/mol, it falls into the moderately-high-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
As a certified reference material (CRM), (3AR,4R,5R,6aS)-4-((R,E)-4-(3-Chlorophenoxy)-3-hydroxybut-1-en-1-yl)-5-hydroxyhexahydro-2H-cyclopenta[b]furan-2-one 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 Formula | C17H19ClO5 |
| Molecular Weight | 338.78 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1972 |
| Halogen Content | Cl-containing |
Recommended Standards
- (1E)-4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl}-1-(dimethylamino)pent-1-en-3-one (CAS 338397-45-8)
- 1-Chloro-2-(3-hydroxy-4-methylpent-1-yn-1-yl)anthracene-9,10-dione (CAS 322642-08-0)
- Benzenesulfonamide, 3-chloro-4-fluoro-N-(2-methyl-1H-indol-5-yl)- (CAS 1956355-11-5)
- 2-[(4-Chlorophenyl)sulfanyl]-4-(4-fluorophenyl)-4-oxobutanoic acid (CAS 301194-42-3)
- (4-Formyl-3-methoxyphenyl)boronic acid (CAS 815620-00-9)
- Hept-2-en-1-ol (CAS 22104-77-4)
- (2-Methoxy-4-(trifluoromethyl)phenyl)methanamine (CAS 771581-99-8)
- 1-Bromo-2,4-dichloro-5-methoxybenzene (CAS 174913-22-5)
- m-Tolualdehyd-2,4-dinitrophenylhydrazone (CAS 2880-05-9)
- Methyl 2-(7,8-dimethoxy-4-methyl-2-oxo-2H-chromen-3-yl)acetate (CAS 924803-62-3)
- 2-Methyl[1,3]oxazolo[5,4-b]pyridine-6-carboxylic acid (CAS 927801-24-9)
- (2-(Trifluoromethyl)-5-(2-((triisopropylsilyl)oxy)ethyl)thiazol-4-yl)methanol (CAS 1858271-73-4)
- Methyl 4-(difluoromethyl)pyrimidine-5-carboxylate (CAS 1443286-01-8)
- Palmitoyl Tetrapeptide-7 (CAS 221227-05-0)
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