CWC6VV5V7N

6-[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]carbonylcyclohex-3-ene-1-carboxylic acid

Also Known As: Prednisolone tetrahydrophthalate|2-Chloroisobutyronitrile|EINECS 222-058-8|6-[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]carbonylcyclohex-3-ene-1-carboxylic acid|Pregna-1,4-diene-3,20-dione, 21-(((6-carboxy-3-cyclohexen-1-yl)carbonyl)oxy)-11,17-dihydroxy-, (11beta)-|11beta,17-Dihydroxypregna-1,4-diene-3,20-dione 21-((6-carboxycyclohex-3-en-1-yl)formate)|11beta,17-dihydroxypregna-1,4-diene-3,20-dione 21-[(6-carboxycyclohex-3-en-1-yl)formate]|21-(2-Carboxy-4-cyclohexenylcarbonyloxy)-11beta,17-dihydroxypregna-1,4-diene-3,20-dione|21-[(6-Carboxy-3-cyclohexen-1-yl)carbonyloxy]-11beta,17-dihydroxypregna-1,4-diene-3,20-dione|222-058-8|6-((2-((8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl)-2-oxoethoxy)carbonyl)cyclohex-3-ene-1-carboxylic acid|6-({[(11|A)-11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl]oxy}carbonyl)cyclohex-3-ene-1-carboxylic acid|6-({2-[(1R,3aS,3bS,9aR,9bS,10S,11aS)-1,10-dihydroxy-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-oxoethoxy}carbonyl)cyclohex-3-ene-1-carboxylic acid|6-{[(11,17-Dihydroxy-3,20-dioxopregna-1,4-dien-21-yl)oxy]carbonyl}cyclohex-3-ene-1-carboxylic acid|6-{[(11beta,17-Dihydroxy-3,20-dioxopregna-1,4-dien-21-yl)oxy]carbonyl}cyclohex-3-ene-1-carboxylic acid|PREGNA-1,4-DIENE-3,20-DIONE, 11.BETA.,17,21-TRIHYDROXY-, 21-(HYDROGEN 4-CYCLOHEXENE-1,2-DICARBOXYLATE)|PREGNA-1,4-DIENE-3,20-DIONE, 11.BETA.,17,21-TRIHYDROXY-, 21-ESTER WITH 4-CYCLOHEXENE-1,2-DICARBOXYLIC ACID|PREGNA-1,4-DIENE-3,20-DIONE, 21-(((6-CARBOXY-3-CYCLOHEXEN-1-YL)CARBONYL)OXY)-11,17-DIHYDROXY-, (11.BETA.)-

Molecular Formula	C29H36O8
Molecular Weight	512.241 g/mol
LogP	2.78
Topological Polar Surface Area	138.2 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	7
Rotatable Bonds	5
Exact Mass	512.241
Heavy Atoms	37
Complexity	1118.9

Chemical Identifiers

CAS Number	3331-71-3
SMILES	C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)COC(=O)C4CC=CCC4C(=O)O)O)CCC5=CC(=O)C=C[C@]35C)O