Free Chemical Databases
-
[Synonyms]
NSC138611
NSC240832
NSC250831
(3.ALPHA.,3A.ALPHA.,5A.BETA.,9.BETA.,9A.BETA.,9B.BETA.)-OCTAHYDRO-3,5A,9-TRIMETHYLNAPHTHO[1,2-B]FURAN-2,8(3H,4H)-DIONE
39813-41-7
[Structure]
[ Properties Computed from Structure]
Molecular Weight 248.3175 [g/mol] Molecular Formula C15H20O3 XLogP 1.9 H-Bond Donor 0 H-Bond Acceptor 3 Rotatable Bond Count 0 Tautomer Count 4 Exact Mass 248.141245 MonoIsotopic Mass 248.141245 Topological Polar Surface Area 43.4 Heavy Atom Count 18 Formal Charge 0 Complexity 439 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 6 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 3,5a,9-trimethyl-3a,4,5,9,9a,9b-hexahydro-3H-naphtho[7,8-d]furan-2,
8-dione
Canonical SMILES: CC1C2CCC3(C=CC(=O)C(C3C2OC1=O)C)C
InChI: InChI=1/C15H20O3/c1-8-10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)18-14(8)17/
h5,7-10,12-13H,4,6H2,1-3H3
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