Cas no 66726-11-2 ((3aS,5aS,9bS)-5a,9-dimethyl-3-methylidene-3a,5,5a,9b-tetrahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione)

(3aS,5aS,9bS)-5a,9-dimethyl-3-methylidene-3a,5,5a,9b-tetrahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione structure
66726-11-2 structure
Product Name:(3aS,5aS,9bS)-5a,9-dimethyl-3-methylidene-3a,5,5a,9b-tetrahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione
CAS No:66726-11-2
MF:C15H16O3
MW:244.285744667053
CID:1712156
PubChem ID:181840
Update Time:2025-04-21

(3aS,5aS,9bS)-5a,9-dimethyl-3-methylidene-3a,5,5a,9b-tetrahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione Chemical and Physical Properties

Names and Identifiers

    • (3aS,5aS,9bS)-5a,9-dimethyl-3-methylidene-3a,5,5a,9b-tetrahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione
    • (3aS,5aS,9bS)-5a,9-dimethyl-3-methylidene-3a,4,5,9b-tetrahydrobenzo[g][1]benzofuran-2,8-dione
    • NSC291618
    • SCHEMBL20642961
    • 3-Oxo-6betaH-eudesm-1,4,11-trien-6,13-olide
    • CHEMBL558927
    • 5a,9-Dimethyl-3-methylidene-3a,5,5a,9b-tetrahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione
    • DTXSID40985307
    • 66726-11-2
    • (3aS,5aS,9bS)-5a,9-dimethyl-3-methylene-3a,4,5,9b-tetrahydrobenzo[g]benzofuran-2,8-dione
    • NSC-291618
    • Naphtho[1,8(3H,4H)-dione, 3a,5,5a,9b-tetrahydro-5a,9-dimethyl-3-methylene-, (3a.alpha.,5a.beta.,9b.beta.)-
    • Inchi： 1S/C15H16O3/c1-8-10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)18-14(8)17/h5,7,10,13H,1,4,6H2,2-3H3/t10-,13-,15-/m0/s1
    • InChI Key： SOEFILJAGJAINE-XEGUGMAKSA-N
    • SMILES： O1C(C(=C)[C@@H]2CC[C@]3(C=CC(C(C)=C3[C@@H]12)=O)C)=O

Computed Properties

  • Exact Mass: 244.10998
  • Monoisotopic Mass: 244.109944368g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 0
  • Complexity: 538
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 3
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.2
  • Topological Polar Surface Area: 43.4?2

Experimental Properties

  • PSA: 43.37

(3aS,5aS,9bS)-5a,9-dimethyl-3-methylidene-3a,5,5a,9b-tetrahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione Related Literature

Related Categories

66726-11-2 ((3aS,5aS,9bS)-5a,9-dimethyl-3-methylidene-3a,5,5a,9b-tetrahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione) Related Products

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