2-bromanyl-4-[(3S)-3-[(1S,4S,5R,6S)-5-bromanyl-3,6-dimethyl-4-oxidanyl-cyclohex-2-en-1-yl]-1,1-bis(oxidanylidene)-2,1$l^{6}-benzoxathiol-3-yl]-3,6-dimethyl-phenol 2-bromo-4-[(3S)-3-[(1S,4S,5R,6S)-5-bromo-4-hydroxy-3,6-dimethyl-1-cyclohex-2-enyl]-1,1-dioxo-2,1$l^{6}-benzoxathiol-3-yl]-3,6-dimethylphenol 40070-59-5 A824884 CAS 40070-59-5

Purity 97%+In StockPharmaceutical Standards
CAS No.40070-59-5
Molecular FormulaC23H38Br2O5S
Molecular Weight586.42 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-bromanyl-4-[(3S)-3-[(1S,4S,5R,6S)-5-bromanyl-3,6-dimethyl-4-oxidanyl-cyclohex-2-en-1-yl]-1,1-bis(oxidanylidene)-2,1$l^{6}-benzoxathiol-3-yl]-3,6-dimethyl-phenol
2-bromo-4-[(3S)-3-[(1S,4S,5R,6S)-5-bromo-4-hydroxy-3,6-dimethyl-1-cyclohex-2-enyl]-1,1-dioxo-2,1$l^{6}-benzoxathiol-3-yl]-3,6-dimethylphenol
40070-59-5
A824884 CAS 40070-59-5 chemical structure

Description

Structurally, 2-bromanyl-4-[(3S)-3-[(1S,4S,5R,6S)-5-bromanyl-3,6-dimethyl-4-oxidanyl-cyclohex-2-en-1-yl]-1,1-bis(oxidanylidene)-2,1$l^{6}-benzoxathiol-3-yl]-3,6-dimethyl-phenol 2-bromo-4-[(3S)-3-[(1S,4S,5R,6S)-5-bromo-4-hydroxy-3,6-dimethyl-1-cyclohex-2-enyl]-1,1-dioxo-2,1$l^{6}-benzoxathiol-3-yl]-3,6-dimethylphenol 40070-59-5 A824884 (C23H38Br2O5S) contains a steroid core, a sulfone group, a hydroxyl group, an ether linkage, bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 4.0, corresponding to approximately 4 ring(s) or double-bond equivalent(s). With a molecular weight of 586.42 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.

2-bromanyl-4-[(3S)-3-[(1S,4S,5R,6S)-5-bromanyl-3,6-dimethyl-4-oxidanyl-cyclohex-2-en-1-yl]-1,1-bis(oxidanylidene)-2,1$l^{6}-benzoxathiol-3-yl]-3,6-dimethyl-phenol 2-bromo-4-[(3S)-3-[(1S,4S,5R,6S)-5-bromo-4-hydroxy-3,6-dimethyl-1-cyclohex-2-enyl]-1,1-dioxo-2,1$l^{6}-benzoxathiol-3-yl]-3,6-dimethylphenol 40070-59-5 A824884 (CAS 40070-59-5), molecular formula C23H38Br2O5S and molecular weight 586.42 g/mol, is a CATO reference standard with documented purity and traceability.

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.

As a certified reference material (CRM), 2-bromanyl-4-[(3S)-3-[(1S,4S,5R,6S)-5-bromanyl-3,6-dimethyl-4-oxidanyl-cyclohex-2-en-1-yl]-1,1-bis(oxidanylidene)-2,1$l^{6}-benzoxathiol-3-yl]-3,6-dimethyl-phenol 2-bromo-4-[(3S)-3-[(1S,4S,5R,6S)-5-bromo-4-hydroxy-3,6-dimethyl-1-cyclohex-2-enyl]-1,1-dioxo-2,1$l^{6}-benzoxathiol-3-yl]-3,6-dimethylphenol 40070-59-5 A824884 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 FormulaC23H38Br2O5S
Molecular Weight586.42 g/mol
Purity97%+
StorageStore at room temperature, keep sealed and dry
Solubility (reference)Soluble in methanol, acetonitrile, DMSO, water (slightly soluble)
StabilityMay oxidize slowly on prolonged air exposure; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)4.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1968
Halogen ContentBr-containing
Sulfur Atoms1

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