9b,11b-Epoxy-17,21-dihydroxy-16b-methylpregna-1,4-diene-3,20-dione 21-Acetate

CAS: 912-38-9

Ref. TR-E589185

Product Information

• Name: 9b,11b-Epoxy-17,21-dihydroxy-16b-methylpregna-1,4-diene-3,20-dione 21-Acetate
• Synonyms: Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-9,11-epoxy-17-hydroxy-16-methyl-, (9β,11β,16β)-, 9β-Pregna-1,4-diene-3,20-dione, 9,11β-epoxy-17,21-dihydroxy-16β-methyl-, 21-acetate (6CI,7CI,8CI), (9β,11β,16β)-21-(Acetyloxy)-9,11-epoxy-17-hydroxy-16-methylpregna-1,4-diene-3,20-dione, 9,11β-Epoxy-17-hydroxy-16β-methyl-3,20-dioxo-9β-pregna-1,4-diene 21-acetate, 9,11β-Epoxy-17,21-dihydroxy-16β-methylpregna-1,4-diene-3,20-dione 21-acetate, 9,11β-Epoxy-17-hydroxy-16β-methyl-3,20-dioxo-9β-pregna-1,4-dien-21-yl Acetate
• Brand: TRC

Description

Impurity Betamethasone Acetate EP Impurity D
Applications 9β,11β-Epoxy-17,21-dihydroxy-16β-methylpregna-1,4-diene-3,20-dione 21-Acetate is an intermediate in the production of Betamethasone (B327000), which is a glucocorticoid used as an anti-inflammatory agent.
References Ferrante, M.G., et al.: Anal. Profiles Drug Subs., 6, 43 (1977), Li, A., et al.: Chem. Biol. Interact., 142, 7 (2002), Cruz-Monteagudo, M., et al.: Eur. J. Med. Chem., 40, 1030 (2005), Rothfuss, A., et al.: Chem. Res. Toxicol., 19, 1313 (2006)

Chemical properties

• Molecular weight: 414.49
• Formula: C₂₄H₃₀O₆
• Color/Form: Neat
• InChI: InChI=1S/C24H30O6/c1-13-9-18-17-6-5-15-10-16(26)7-8-21(15,3)24(17)20(30-24)11-22(18,4)23(13,28)19(27)12-29-14(2)25/h7-8,10,13,17-18,20,28H,5-6,9,11-12H2,1-4H3/t13-,17-,18-,20-,21-,22-,23-,24+/m0/s1
• InChI key: InChIKey=MONKXVNQUJNHLQ-LGLNQOIUSA-N
• SMILES: CC(=O)OCC(=O)[C@@]1(O)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]34O[C@H]4C[C@@]21C