Z7Dnn9U8AE

(1R,2S,4R,8R,9S,12S)-8,16-dihydroxy-9-methyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-13(18),14,16-trien-6-one

Also Known As: 16alpha-LE2|16.ALPHA.-LE2|BAY-503|J2.064.412E|3,17beta-Dihydroxy-19-nor-17alpha-pregna-1,3,5(10)-triene-21,16alpha-lactone|19-Norpregna-1,3,5(10)-trien-21-oic acid, 3,16,17-trihydroxy-, gamma-lactone, (16alpha,17alpha)-|(17R)-3,16alpha,17-Trihydroxy-19-norpregna-1,3,5(10)-triene-21-oic acid 21,16-lactone|(1R,2S,4R,8R,9S,12S)-8,16-dihydroxy-9-methyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-13,15,17-trien-6-one|19-NORPREGNA-1,3,5(10)-TRIEN-21-OIC ACID, 3,16,17-TRIHYDROXY-, .GAMMA.-LACTONE, (16.ALPHA.,17.ALPHA.)-|3,17.BETA.-DIHYDROXY-19-NOR-17.ALPHA.-PREGNA-1,3,5(10)-TRIENE-21,16.ALPHA.-LACTONE

Molecular Formula	C20H24O4
Molecular Weight	328.16745 g/mol
LogP	2.9048
Topological Polar Surface Area	66.76 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	4
Rotatable Bonds	0
Exact Mass	328.16745
Monoisotopic Mass	328.16745
Heavy Atoms	24
Complexity	728.34906

Chemical Identifiers

CAS Number	406483-39-4
SMILES	C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@@H]4[C@]2(CC(=O)O4)O)CCC5=C3C=CC(=C5)O