Cas no 66395-02-6 ((4aS,5aS,6aR,6bS)-3,6b-dimethyl-5-methylidene-4a,5,5a,6,6a,6b-hexahydrocyclopropa[2,3]indeno[5,6-b]furan-2(4H)-one)

(4aS,5aS,6aR,6bS)-3,6b-dimethyl-5-methylidene-4a,5,5a,6,6a,6b-hexahydrocyclopropa[2,3]indeno[5,6-b]furan-2(4H)-one structure
66395-02-6 structure
Product Name:(4aS,5aS,6aR,6bS)-3,6b-dimethyl-5-methylidene-4a,5,5a,6,6a,6b-hexahydrocyclopropa[2,3]indeno[5,6-b]furan-2(4H)-one
CAS No:66395-02-6
MF:C15H16O2
MW:228.286344528198
CID:963903
PubChem ID:333361
Update Time:2025-04-19

(4aS,5aS,6aR,6bS)-3,6b-dimethyl-5-methylidene-4a,5,5a,6,6a,6b-hexahydrocyclopropa[2,3]indeno[5,6-b]furan-2(4H)-one Chemical and Physical Properties

Names and Identifiers

    • (4aS,5aS,6aR,6bS)-3,6b-dimethyl-5-methylidene-4a,5,5a,6,6a,6b-hexahydrocyclopropa[2,3]indeno[5,6-b]furan-2(4H)-one
    • Dehydroshizukanolide
    • CHLORANTHALACTONE A
    • DTXSID90318686
    • AKOS040734559
    • NSC-334031
    • NSC334031
    • (1S,9S,10R,12S)-4,9-dimethyl-13-methylidene-6-oxatetracyclo[7.4.0.03,7.010,12]trideca-3,7-dien-5-one
    • CHEMBL468809
    • 66395-02-6
    • InChI=1/C15H16O2/c1-7-9-4-12(9)15(3)6-13-10(5-11(7)15)8(2)14(16)17-13/h6,9,11-12H,1,4-5H2,2-3H3/t9-,11+,12-,15-/m1/s1
    • OVEQSZKTJIUNHZ-JDTTZNEISA-
    • Inchi: 1S/C15H16O2/c1-7-9-4-12(9)15(3)6-13-10(5-11(7)15)8(2)14(16)17-13/h6,9,11-12H,1,4-5H2,2-3H3/t9-,11+,12-,15-/m1/s1
    • InChI Key: OVEQSZKTJIUNHZ-JDTTZNEISA-N
    • SMILES: O1C(C(C)=C2C1=C[C@]1(C)[C@@H](C2)C(=C)[C@H]2C[C@H]21)=O

Computed Properties

  • Exact Mass: 228.11508
  • Monoisotopic Mass: 228.115029749g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 0
  • Complexity: 537
  • 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
  • XLogP3: 2.3
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • Color/Form: Powder
  • PSA: 26.3
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