Benzoic acid 1S-(5-methoxymethoxy-1S,5-dimethyl-2-oxo-hex-3-ynyl)-7R-methyl-octahydro-inden-4-yl ester CAS 100858-21-7
| CAS No. | 100858-21-7 |
| Molecular Formula | C27H36O5 |
| Molecular Weight | 440.57 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.
CATO supplies Benzoic acid 1S-(5-methoxymethoxy-1S,5-dimethyl-2-oxo-hex-3-ynyl)-7R-methyl-octahydro-inden-4-yl ester (CAS 100858-21-7), a certified reference material (molecular formula C27H36O5, MW 440.57 g/mol) for analytical method development and quality control.
Structurally, Benzoic acid 1S-(5-methoxymethoxy-1S,5-dimethyl-2-oxo-hex-3-ynyl)-7R-methyl-octahydro-inden-4-yl ester (C27H36O5) contains a steroid core, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 10.0, corresponding to approximately 10 ring(s) or double-bond equivalent(s). With a molecular weight of 440.57 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 | C27H36O5 |
| Molecular Weight | 440.57 g/mol |
| Appearance | Pale yellow to yellow crystalline powder |
| Purity | 97%+ |
| Storage | Store at room temperature, 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) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
Related Benzoic Standards
- Benzoic acid 1S-(2R-hydroxy-5-methoxymethoxy-1S,5-dimethyl-hex-3-ynyl)-7R-methyl-octahydro-inden-4-ylester (CAS 100937-69-7)
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