Free Chemical Databases
-
[Synonyms]
LS-58119
11-Butyl-15,16-dihydro-17H-cyclopenta(a)phenanthren-17-one
17H-Cyclopenta(a)phenanthren-17-one, 15,16-dihydro-11-butyl-
63642-51-3
[Structure]
[ Properties Computed from Structure]
Molecular Weight 288.3829 [g/mol] Molecular Formula C21H20O XLogP 6.1 H-Bond Donor 0 H-Bond Acceptor 1 Rotatable Bond Count 3 Tautomer Count 2 Exact Mass 288.151415 MonoIsotopic Mass 288.151415 Topological Polar Surface Area 17.1 Heavy Atom Count 22 Formal Charge 0 Complexity 414 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 11-butyl-15,16-dihydrocyclopenta[a]phenanthren-17-one
Canonical SMILES: CCCCC1=C2C(=C3CCC(=O)C3=C1)C=CC4=CC=CC=C42
InChI: InChI=1/C21H20O/c1-2-3-6-15-13-19-17(11-12-20(19)22)18-10-9-14-7-4-5-8-
16(14)21(15)18/h4-5,7-10,13H,2-3,6,11-12H2,1H3
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