(3AR,6aS)-2-benzyl 1-ethyl 4-oxohexahydrocyclopenta[c]pyrrole-1,2(1H)-dicarboxylate CAS 1958050-40-2
| CAS No. | 1958050-40-2 |
| Molecular Formula | C18H21NO5 |
| Molecular Weight | 331.36 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
(3AR,6aS)-2-benzyl 1-ethyl 4-oxohexahydrocyclopenta[c]pyrrole-1,2(1H)-dicarboxylate (CAS 1958050-40-2), molecular formula C18H21NO5 and molecular weight 331.36 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, (3AR,6aS)-2-benzyl 1-ethyl 4-oxohexahydrocyclopenta[c]pyrrole-1,2(1H)-dicarboxylate (C18H21NO5) contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 9.0, corresponding to approximately 9 ring(s) or double-bond equivalent(s). With a molecular weight of 331.36 g/mol, it falls into the moderately-high-molecular-weight range. 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).
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 Formula | C18H21NO5 |
| Molecular Weight | 331.36 g/mol |
| Appearance | Pale yellow to yellow crystalline powder |
| 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 |
| Degree of Unsaturation (DBE) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1996 |
| Nitrogen Atoms | 1 |
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