(11b,16a)-21-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]-11,16,17-trihydroxy-pregna-1,4-diene-3,20-dione

CAS: 1221150-20-4

Ref. TR-D481138

Product Information

• Name: (11b,16a)-21-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]-11,16,17-trihydroxy-pregna-1,4-diene-3,20-dione
• Synonyms: (8S,9S,10R,11S,13S,14S,16R,17S)-17-(2-((tert-Butyldimethylsilyl)oxy)acetyl)-11,16,17-trihydroxy-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one

Description

Applications (11β,16α)-21-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]-11,16,17-trihydroxy-pregna-1,4-diene-3,20-dione is an intermediate in the synthesis of 16α-Butyloxyprednisolone (B693880). 16α-Butyloxyprednisolone (Budesonide EP Impurity I) is an impurity of Budesonide (B689460), a non-halogenated glucocorticoid intended for the local treatment of lung disease.
References Ryrfeldt, Å., et al.: Eur. J. Respir. Dis., 122, 86 (1981); Vestbo, J., et al.: Lancet, 353, 1819 (1999)

• Brand: TRC

Chemical properties

• Molecular weight: 490.7
• Formula: C₂₇H₄₂O₆Si
• Color/Form: White Solid
• InChI: InChI=1S/C27H42O6Si/c1-24(2,3)34(6,7)33-15-22(31)27(32)21(30)13-19-18-9-8-16-12-17(28)10-11-25(16,4)23(18)20(29)14-26(19,27)5/h10-12,18-21,23,29-30,32H,8-9,13-15H2,1-7H3/t18-,19-,20-,21+,23+,25-,26-,27-/m0/s1
• InChI key: InChIKey=NUWCYTHPVFTCOI-XOLBZSSLSA-N
• SMILES: CC(C)(C)[Si](C)(C)OCC(=O)[C@@]1(O)[C@H](O)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C