(3α,5β,6α)-6-Bromo-3-[(ethoxycarbonyl)oxy]-7-oxo-cholan-24-oic Acid Methyl Ester CAS 125112-73-4
| CAS No. | 125112-73-4 |
| Molecular Formula | C28H43BrO6 |
| Molecular Weight | 555.54 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.
(3α,5β,6α)-6-Bromo-3-[(ethoxycarbonyl)oxy]-7-oxo-cholan-24-oic Acid Methyl Ester (CAS 125112-73-4) is a high-purity analytical reference standard with the molecular formula C28H43BrO6 and a molecular weight of 555.54 g/mol.
Structurally, (3α,5β,6α)-6-Bromo-3-[(ethoxycarbonyl)oxy]-7-oxo-cholan-24-oic Acid Methyl Ester (C28H43BrO6) contains a steroid core, a hydroxyl group, an ether linkage, bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 7.0, corresponding to approximately 7 ring(s) or double-bond equivalent(s). With a molecular weight of 555.54 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C28H43BrO6 |
| Molecular Weight | 555.54 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor) |
| 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; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1992 |
| Halogen Content | Br-containing |
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Recommended Standards
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- SerlopitantDISCONTINUED (CAS 860642-69-9)
- Platinum(2+), bis[2-(2-pyridinylmethylene)hydrazinecarbothioamide-κN2,κS]-, dichlorid (CAS 218617-12-0)
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- tert-Butyl 3-(2-aminopropan-2-yl)pyrrolidine-1-carboxylate (CAS 1363405-88-2)
- 1H-imidazo[4,5-c]pyridine-4-carboxylic acid (CAS 933728-33-7)
- (R)-(9H-Fluoren-9-yl)methyl (1-hydroxy-3-methylbutan-2-yl)carbamate (CAS 215178-46-4)
- N-(tert-butyl)pyrrolidine-3-carboxamide (CAS 1342200-66-1)
- Diacerein EP Impurity F (CAS 13928-72-8 (racemic))
- N-methyl-2-(thiophene-2-carbonyl)hydrazine-1-carbothioamide (CAS 116850-74-9)
- Hepcidin/LEAP-1 (Human); Liver-Expressed Antimicrobial Peptide (CAS 342790-21-0)
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