9-Bromo-11,17-dihydroxy-6-methyl-3,20-dioxopregna-1,4-dien-21-yl acetate

[2-[(6S,8S,9R,10S,11S,13S,14S,17R)-9-bromo-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate

Also Known As: Prednisolone Impurity 65|Prednisolone, 21-acetate|9-Bromo-11,17-dihydroxy-6-methyl-3,20-dioxopregna-1,4-dien-21-yl acetate|Pregna-1,4-diene-3,20-dione, 9-bromo-11.beta.,17,21-trihydroxy-|Pregna-1,20-dione, 9-bromo-11.beta.,17,21-trihydroxy-6.alpha.-methyl-, 21-acetate|[2-[(6S,8S,9R,10S,11S,13S,14S,17R)-9-bromo-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate|2-((6S,8S,9R,10S,11S,13S,14S,17R)-9-bromo-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl acetate

Molecular Formula	C24H31BrO6
Molecular Weight	494.1304 g/mol
LogP	2.3
Topological Polar Surface Area	101.0 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	4
Exact Mass	494.1304
Monoisotopic Mass	494.1304
Heavy Atoms	31
Complexity	910.0

Chemical Identifiers

CAS Number	93052-90-5
SMILES	C[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(C[C@@H]([C@@]2([C@@]4(C1=CC(=O)C=C4)C)Br)O)C)(C(=O)COC(=O)C)O
InChIKey	XOQOMKHSENZMAZ-OOACPSMNSA-N