Free Chemical Databases
-
[Synonyms]
NSC106613
16993-14-9
[Structure]
[ Properties Computed from Structure]
Molecular Weight 298.41924 [g/mol] Molecular Formula C20H26O2 XLogP 4.6 H-Bond Donor 0 H-Bond Acceptor 2 Rotatable Bond Count 1 Tautomer Count 2 Exact Mass 298.19328 MonoIsotopic Mass 298.19328 Topological Polar Surface Area 26.3 Heavy Atom Count 22 Formal Charge 0 Complexity 472 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 4 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 3-methoxy-13,14-dimethyl-6,7,8,9,11,12,16,
17-octahydrocyclopenta[a]phenanthren-15-one
Canonical SMILES: CC12CCC3C(C1(C(=O)CC2)C)CCC4=C3C=CC(=C4)OC
InChI: InChI=1/C20H26O2/c1-19-10-8-16-15-6-5-14(22-3)12-13(15)4-7-17(16)20(19,
2)18(21)9-11-19/h5-6,12,16-17H,4,7-11H2,1-3H3
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