((4aS,4bS,10aR,10bS,11S,12aS)-2,11-Dihydroxy-10a,12a-dimethyl-1,8-dioxo-1,2,3,4,4a,4b,5,6,8,10a,10b,11,12,12a-tetradecahydrochrysen-2-yl)methyl Acetate

Ref. TR-D455588

Product Information

• Name: ((4aS,4bS,10aR,10bS,11S,12aS)-2,11-Dihydroxy-10a,12a-dimethyl-1,8-dioxo-1,2,3,4,4a,4b,5,6,8,10a,10b,11,12,12a-tetradecahydrochrysen-2-yl)methyl Acetate

Description

Applications ((4aS,4bS,10aR,10bS,11S,12aS)-2,11-Dihydroxy-10a,12a-dimethyl-1,8-dioxo-1,2,3,4,4a,4b,5,6,8,10a,10b,11,12,12a-tetradecahydrochrysen-2-yl)methyl Acetate is an intermediate in the synthesis of (11β)-11,17a-Dihydroxy-17a-[(phosphonooxy)methyl]-D-homoandrosta-1,4-diene-3,17-dione Ammonium Salt (D455580), which is a derivative of Prednisolone (P703740), a glucocorticosteroid that is used to treat patients with chronic obstructive pulmonary disease (COPD).
References Burge, P., et al.: Thorax, 58, 654 (2003); Mendenhall, C., et al.: New Engl. J. Med., 311, 1464 (1984)

• Brand: TRC

Chemical properties

• Molecular weight: 402.481
• Formula: C₂₃H₃₀O₆
• Color/Form: Light Yellow Solid
• InChI: InChI=1S/C23H30O6/c1-13(24)29-12-23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)19(16)18(26)11-22(17,3)20(23)27/h6,8,10,16-19,26,28H,4-5,7,9,11-12H2,1-3H3/t16-,17-,18-,19+,21-,22-,23?/m0/s1
• InChI key: InChIKey=PDRHLMIJVTZNOK-QKGDCBLJSA-N
• SMILES: CC(=O)OCC1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)C1=O