17,21-Dihydroxypregna-1,4-diene-3,11,20-trione 21-hexadecanoate

[2-[(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] hexadecanoate

Also Known As: 21-Hexadecanoylprednisone|EINECS 254-246-0|17,21-Dihydroxypregna-1,4-diene-3,11,20-trione 21-hexadecanoate|17,21-dihydroxypregna-1,4-diene-3,11,20-trione21-hexadecanoate|17-Hydroxy-21-(hexadecanoyloxy)pregna-1,4-diene-3,11,20-trione|17-Hydroxy-3,11,20-trioxopregna-1,4-dien-21-yl hexadecanoate|Palmitic acid 17-hydroxy-3,11,20-trioxopregna-1,4-dien-21-yl ester|Pregna-1,4-diene-3,11,20-trione,17-hydroxy-21-[(1-oxohexadecyl)oxy]- (9CI)|[2-[(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] hexadecanoate|2-[(1R,3aS,3bS,9aR,9bS,11aS)-1-hydroxy-9a,11a-dimethyl-7,10-dioxo-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-oxoethyl hexadecanoate

Molecular Formula	C37H56O6
Molecular Weight	596.4077 g/mol
LogP	7.798
Topological Polar Surface Area	97.74 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	17
Exact Mass	596.4077
Monoisotopic Mass	596.4077
Heavy Atoms	43
Complexity	1088.6663

Chemical Identifiers

CAS Number	39007-81-3
SMILES	CCCCCCCCCCCCCCCC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)C)O