| CAS No. | 1314132-81-4 |
| Molecular Formula | C50H57O3PS |
| Molecular Weight | 769.02 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
(11bR)-4-mercapto-2,6-bis[2,4,6-tris(1-methylethyl)phenyl]-4-oxide-dinaphtho[2,1-d:1',2'f][1,3,2]dioxaphosphepin (CAS 1314132-81-4) is a high-purity analytical reference standard with the molecular formula C50H57O3PS and a molecular weight of 769.02 g/mol.
Structurally, (11bR)-4-mercapto-2,6-bis[2,4,6-tris(1-methylethyl)phenyl]-4-oxide-dinaphtho[2,1-d:1',2'f][1,3,2]dioxaphosphepin (C50H57O3PS) contains a sulfone group, a phosphonate group, a carboxylic acid group, a hydroxyl group, an ether linkage, a polycyclic aromatic system. The molecule exhibits a degree of unsaturation (DBE) of 22.5, corresponding to approximately 22 ring(s) or double-bond equivalent(s). With a molecular weight of 769.02 g/mol, it falls into the high-molecular-weight range. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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.
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.
| Molecular Formula | C50H57O3PS |
| Molecular Weight | 769.02 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 22.5 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1990 |
| Sulfur Atoms | 1 |