AC1O58MY

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

Also Known As: EINECS 262-477-3|17-(3-Carboxy-2-hydroxypropanoyl)-6-fluoro-15-hydroxy-3-oxopregna-1,4,9(11)-trien-21-oic acid|4-[(3aS,3bS,5R,9aR,11aS)-1-(Carboxymethyl)-5-fluoro-3-hydroxy-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,7,9a,11,11a-decahydro-1H-cyclopenta[a]phenanthren-1-yl]-3-hydroxy-4-oxobutanoic acid|4-[(6R,8S,10R,13S,14S)-17-(carboxymethyl)-6-fluoro-15-hydroxy-10,13-dimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-3-hydroxy-4-oxobutanoic acid

Molecular Formula	C25H29FO8
Molecular Weight	476.18463 g/mol
LogP	1.999
Topological Polar Surface Area	149.2 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	6
Rotatable Bonds	6
Exact Mass	476.18463
Monoisotopic Mass	476.18463
Heavy Atoms	34
Complexity	1059.1339

Chemical Identifiers

CAS Number	60864-38-2
SMILES	C[C@]12CC=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@]34C)F