AC1O58N6

4-[(6R,8S,10S,11S,13S,14S)-17-(carboxymethyl)-9,11-dichloro-6-fluoro-15-hydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-3-hydroxy-4-oxobutanoic acid

Also Known As: EINECS 262-481-5|17-(3-Carboxy-2-hydroxypropanoyl)-9,11-dichloro-6-fluoro-15-hydroxy-3-oxopregna-1,4-dien-21-oic acid|4-[(3aS,3bS,5R,9aS,10S,11aS)-1-(Carboxymethyl)-9b,10-dichloro-5-fluoro-3-hydroxy-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,7,9a,9b,10,11,11a-dodecahydro-1H-cyclopenta[a]phenanthren-1-yl]-3-hydroxy-4-oxobutanoic acid|4-[(6R,8S,10S,11S,13S,14S)-17-(carboxymethyl)-9,11-dichloro-6-fluoro-15-hydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-3-hydroxy-4-oxobutanoic acid

Molecular Formula	C25H29Cl2FO8
Molecular Weight	546.1224 g/mol
LogP	2.6576
Topological Polar Surface Area	149.2 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	6
Rotatable Bonds	6
Exact Mass	546.1224
Monoisotopic Mass	546.1224
Heavy Atoms	36
Complexity	1091.9302

Chemical Identifiers

CAS Number	60864-41-7
SMILES	C[C@]12C[C@@H](C3([C@H]([C@@H]1C(CC2(CC(=O)O)C(=O)C(CC(=O)O)O)O)C[C@H](C4=CC(=O)C=C[C@@]43C)F)Cl)Cl