Description

The (2S,10S,11S,13R,14S,15S)-13,14-dihydroxy-14-(2-hydroxyacetyl)-2,15-dimethyl-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-5-one (CAS: 215095-77-5) is a high-purity steroidal compound with a complex pentacyclic structure, ideal for pharmaceutical research and analytical applications. This compound, with the molecular formula C₂₁H₂₆O₆, serves as a critical intermediate or impurity reference in the synthesis and quality control of corticosteroid derivatives such as budesonide. Its well-defined stereochemistry and functional groups make it valuable for metabolic studies, receptor binding assays, and structural elucidation research. Available in various packaging options to suit laboratory needs, this product is rigorously tested for identity, purity, and stability to ensure reproducibility in scientific investigations.

Properties

• CAS Number: 215095-77-5
• Complexity: 815
• IUPAC Name: (2S,10S,11S,13R,14S,15S)-13,14-dihydroxy-14-(2-hydroxyacetyl)-2,15-dimethyl-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-5-one
• InChI: InChI=1S/C21H26O6/c1-18-6-5-12(23)7-11(18)3-4-13-14-8-15(24)20(26,16(25)10-22)19(14,2)9-17-21(13,18)27-17/h5-7,13-15,17,22,24,26H,3-4,8-10H2,1-2H3/t13-,14-,15+,17?,18-,19-,20-,21?/m0/s1
• InChI Key: MJJGOAZIKWEYHG-BMVKDYALSA-N
• Exact Mass: 374.17293854
• Molecular Formula: C21H26O6
• Molecular Weight: 374.4
• SMILES: C[C@]12CC3C4(O3)[C@H]([C@@H]1C[C@H]([C@@]2(C(=O)CO)O)O)CCC5=CC(=O)C=C[C@]45C
• Topological: 107
• Monoisotopic Mass: 374.17293854
• Synonyms: 215095-77-5, (9,16b)-9,11-Epoxy-16,17,21-trihydroxypregna-1,4-diene-3,20-dione, AKOS025402324, AC-8112, CS-0166444, G85863, (4aS,6aS,7S,8R,9aS,9bS)-7,8-dihydroxy-7-(2-hydroxyacetyl)-4a,6a-dimethyl-5a,6,6a,7,8,9,9a,9b,10,11-decahydrocyclopenta[1,2]phenanthro[4,4a-b]oxiren-2(4aH)-one? (Budesonide Impurity

This compound is primarily used as a reference standard in the analysis of corticosteroid impurities, particularly in budesonide-related pharmaceutical formulations. Researchers employ it in HPLC and LC-MS methods for qualitative and quantitative assessments of drug purity. Additionally, it serves as a synthetic intermediate in the development of novel steroidal derivatives with potential therapeutic applications.

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