3-(Acetyloxy)-14-hydroxy-20-oxopregnan-21-yl prop-2-enoate

[2-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-acetyloxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] prop-2-enoate

Also Known As: 3-beta,14,21-Trihydroxy-5-beta,14-beta-pregnan-20-one 3-acetate 21-acrylate|3-(Acetyloxy)-14-hydroxy-20-oxopregnan-21-yl prop-2-enoate|5-beta,14-beta,17-alpha-Pregnan-20-one, 3-beta,14,21-trihydroxy-, 3-acetate, 21-acrylate|(14beta,17R)-3beta,14,21-Trihydroxy-5beta-pregnan-20-one 3-acetate 21-acrylate|3beta-(Acetyloxy)-14-hydroxy-20-oxo-5beta,14beta,17alpha-pregnan-21-yl prop-2-enoate|[2-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-acetyloxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] prop-2-enoate|2-[(1R,3aS,3bR,5aR,7S,9aS,9bS,11aR)-7-(acetyloxy)-3a-hydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2-oxoethyl prop-2-enoate|Pregnan-20-one, 3-(acetyloxy)-14-hydroxy-21-[(1-oxo-2-propenyl)oxy]-, (3.beta.,5.beta.,14.beta.,17.alpha.)-

Molecular Formula	C26H38O6
Molecular Weight	446.26685 g/mol
LogP	3.9902
Topological Polar Surface Area	89.9 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	5
Exact Mass	446.26685
Monoisotopic Mass	446.26685
Heavy Atoms	32
Complexity	806.1388

Chemical Identifiers

CAS Number	67462-32-2
SMILES	CC(=O)O[C@H]1CC[C@]2([C@@H](C1)CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@H]4C(=O)COC(=O)C=C)O)C)C