Cas no 97916-08-0 ((3aS)-3aβ,4,5,5a,6,7,9aβ,9bα-Octahydro-5aβ,9-dimethyl-3-methylenenaphtho[1,2-b]furan-2(3H)-one)

(3aS)-3aβ,4,5,5a,6,7,9aβ,9bα-Octahydro-5aβ,9-dimethyl-3-methylenenaphtho[1,2-b]furan-2(3H)-one structure
97916-08-0 structure
Product Name:(3aS)-3aβ,4,5,5a,6,7,9aβ,9bα-Octahydro-5aβ,9-dimethyl-3-methylenenaphtho[1,2-b]furan-2(3H)-one
CAS No:97916-08-0
MF:C15H20O2
MW:232.318104743958
CID:1989567
Update Time:2024-03-01

(3aS)-3aβ,4,5,5a,6,7,9aβ,9bα-Octahydro-5aβ,9-dimethyl-3-methylenenaphtho[1,2-b]furan-2(3H)-one Chemical and Physical Properties

Names and Identifiers

    • (3aS)-3aβ,4,5,5a,6,7,9aβ,9bα-Octahydro-5aβ,9-dimethyl-3-methylenenaphtho[1,2-b]furan-2(3H)-one
    • Morifolin A
    • Inchi: 1S/C15H20O2/c1-9-5-4-7-15(3)8-6-11-10(2)14(16)17-13(11)12(9)15/h5,11-13H,2,4,6-8H2,1,3H3/t11-,12+,13-,15-/m0/s1
    • InChI Key: UHODXTMZSDNATP-XFMPKHEZSA-N
    • SMILES: O1C(=O)C(=C)[C@]2([H])CC[C@@]3(C)[C@@]([H])([C@@]12[H])C(C)=CCC3

Computed Properties

  • Exact Mass: 232.146
  • Monoisotopic Mass: 232.146
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 0
  • Complexity: 421
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 26.3A^2
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