Corticosterone sulfate

[2-[(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] hydrogen sulfate

Also Known As: Corticosterone sulfate|Corticosterone 21-sulfate|corticosterone 21-monosulphate|KST-1A0905|3,5-dichloro-2,4-difluorobenzene|CORTICOSTERONE 21-SULFATE POTASSIUM|[2-[(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] hydrogen sulfate|3,20-Dioxopregn-4-ene-11beta,21-diol 21-sulfate|21-(Sulfooxy)-11beta-hydroxypregn-4-ene-3,20-dione|(11|A)-11-hydroxy-3,20-dioxopregn-4-en-21-yl hydrogen sulfate|11-hydroxy-3,20-dioxopregn-4-en-21-yl hydrogen sulfate|(11 beta)-11-hydroxy-21-(sulfooxy)pregn-4-ene-3,20-dione|(11beta)-11-Hydroxy-21-(sulfooxy)pregn-4-ene-3,20-dione|11beta-Hydroxy-3,20-dioxopregn-4-en-21-yl hydrogen sulfate|(2R,3S,4S,5R,6R)-2-((benzoyloxy)methyl)-6-bromo-4-fluorotetrahydro-2H-pyran-3,5-diyl dibenzoate|{2-[(1S,3aS,3bS,9aR,9bS,10S,11aS)-10-hydroxy-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]-2-oxoethoxy}sulfonic acid|Sulfuric acid mono-[2-(11-hydroxy-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)-2-oxo-ethyl] ester

Molecular Formula	C21H30O7S
Molecular Weight	426.17123 g/mol
LogP	1.6
Topological Polar Surface Area	126.0 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	7
Rotatable Bonds	4
Exact Mass	426.17123
Monoisotopic Mass	426.17123
Heavy Atoms	29
Complexity	857.0

Chemical Identifiers

CAS Number	100776-45-2
SMILES	C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4C(=O)COS(=O)(=O)O)C)O
InChIKey	DWEMVKUDQCSHGT-HJTSIMOOSA-N