13-[[(3-tert-Butyloxycarbonyl)-2,2-dimethyl-4S-phenyl-1,3-oxazolidin-5R-yl]formyl]-7-O-((trifluoromethyl)sulfonyl]oxy) Baccatin III CAS 168120-69-2

Purity 97%+In StockPharmaceutical Standards
CAS No.168120-69-2
Molecular FormulaC49H58F3NO17S
Molecular Weight1022.04 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

13-[[(3-tert-Butyloxycarbonyl)-2,2-dimethyl-4S-phenyl-1,3-oxazolidin-5R-yl]formyl]-7-O-((trifluoromethyl)sulfonyl]oxy) Baccatin III CAS 168120-69-2 chemical structure

Description

Structurally, 13-[[(3-tert-Butyloxycarbonyl)-2,2-dimethyl-4S-phenyl-1,3-oxazolidin-5R-yl]formyl]-7-O-((trifluoromethyl)sulfonyl]oxy) Baccatin III (C49H58F3NO17S) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 20.0, corresponding to approximately 20 ring(s) or double-bond equivalent(s). With a molecular weight of 1022.04 g/mol, it falls into the high-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.

13-[[(3-tert-Butyloxycarbonyl)-2,2-dimethyl-4S-phenyl-1,3-oxazolidin-5R-yl]formyl]-7-O-((trifluoromethyl)sulfonyl]oxy) Baccatin III (CAS 168120-69-2) is a high-purity analytical reference standard with the molecular formula C49H58F3NO17S and a molecular weight of 1022.04 g/mol.

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), 13-[[(3-tert-Butyloxycarbonyl)-2,2-dimethyl-4S-phenyl-1,3-oxazolidin-5R-yl]formyl]-7-O-((trifluoromethyl)sulfonyl]oxy) Baccatin III 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 FormulaC49H58F3NO17S
Molecular Weight1022.04 g/mol
Purity97%+
StorageStore at room temperature, protect from light, keep sealed and dry
Solubility (reference)Soluble in methanol, acetonitrile, DMSO, water (slightly soluble)
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)20.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2005
Halogen ContentF-containing
Nitrogen Atoms1
Sulfur Atoms1

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