Benzodrocortisone

[(8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] benzoate

Also Known As: Benzodrocortisone|hydrocortisone 17-benzoate|EINECS 249-328-8|BENZODROCORTISONE [INN]|GTPL9731|KST-1A3563|compound 1 [WO2013071010]|US10188667, Example 00012|US10188667, Example 00028|11beta,17,21-Trihydroxypregn-4-ene-3,20-dione 17-benzoate|(11|A)-11,21-dihydroxy-3,20-dioxopregn-4-en-17-yl benzoate|[(8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] benzoate|11beta,21-Dihydroxy-3,20-dioxopregn-4-en-17-yl benzoate|11beta,17,21-trihydroxypregn-4-ene-3,20-dione17-benzoate|17-(Benzoyloxy)-11beta,21-dihydroxypregn-4-ene-3,20-dione|(8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl benzoate|PREGN-4-ENE-3,20-DIONE, 17-(BENZOYLOXY)-11,21-DIHYDROXY-, (11.BETA.)-|(1R,3aS,3bS,9aR,9bS,10S,11aS)-10-hydroxy-1-(2-hydroxyacetyl)-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl benzoate|[(8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-17-(2-hydroxy-acetyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] benzoate|CORTISOL, 17-BENZOATE(11.BETA.)-17-(BENZOYLOXY)-11,21-DIHYDROXYPREGN-4-ENE-3,20-DIONE

Molecular Formula	C28H34O6
Molecular Weight	466.23553 g/mol
LogP	3.65
Topological Polar Surface Area	100.9 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	4
Exact Mass	466.23553
Heavy Atoms	34
Complexity	1046.2

Chemical Identifiers

CAS Number	28956-89-0
SMILES	C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)OC(=O)C5=CC=CC=C5)C)O