Cas no 2513-77-1 (Oxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one,2,3,6,7,7a,8,10a,10b-octahydro-1a,5-dimethyl-8-methylene-)

Oxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one,2,3,6,7,7a,8,10a,10b-octahydro-1a,5-dimethyl-8-methylene- structure
2513-77-1 structure
Product Name:Oxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one,2,3,6,7,7a,8,10a,10b-octahydro-1a,5-dimethyl-8-methylene-
CAS No:2513-77-1
MF:C15H20O3
MW:248.317504882813
CID:287550
PubChem ID:5320420
Update Time:2025-04-19

Oxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one,2,3,6,7,7a,8,10a,10b-octahydro-1a,5-dimethyl-8-methylene- Chemical and Physical Properties

Names and Identifiers

    • Oxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one,2,3,6,7,7a,8,10a,10b-octahydro-1a,5-dimethyl-8-methylene-
    • parthenolide
    • (-)-Parthenolide
    • SCHEMBL9927466
    • (7E)-4,8-Dimethyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one
    • NSC-203821
    • Oxireno(9,10)cyclodeca(1,2-b)furan-9(1aH)-one, 2,3,6,7,7a,8,10a,10b-octahydro-1a,5-dimethyl-8-methylene-, (1aR,4E,7aS,10aS,10bS)-
    • KTEXNACQROZXEV-WEVVVXLNSA-N
    • Germacra-1(10),11(13)-dien-12-oic acid, 4,5-.alpha.-epoxy-6-.beta.-hydroxy-, .gamma.-lactone
    • 2513-77-1
    • 4,5-.alpha.-Epoxy-6-.beta.-hydroxygermacra-1(10),11(13)-dien-12-oic acid .gamma.-lactone
    • NCGC00095282-01
    • NCGC00095282-02
    • CHEMBL1601875
    • NSC203821
    • 4,5-alpha-Epoxy-6-beta-hydroxygermacra-1(10),11(13)-dien-12-oic acid gamma-lactone
    • 1a,5-Dimethyl-8-methylene-2,3,6,7,7a,8,10a,10b-octahydrooxireno[2',3':9,10]cyclodeca[1,2-b]furan-9(1ah)-one #
    • Inchi： 1S/C15H20O3/c1-9-5-4-8-15(3)13(18-15)12-11(7-6-9)10(2)14(16)17-12/h5,11-13H,2,4,6-8H2,1,3H3/b9-5+
    • InChI Key： KTEXNACQROZXEV-WEVVVXLNSA-N
    • SMILES： O1C2C3C(C(=C)C(=O)O3)CCC(C)=CCCC12C |t:13|

Computed Properties

  • Exact Mass: 248.141
  • Monoisotopic Mass: 248.141
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 0
  • Complexity: 437
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 4
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 38.8A^2
  • XLogP3: 2.3

Experimental Properties

  • Density: 1.13
  • Boiling Point: 394.1°Cat760mmHg
  • Flash Point: 166.3°C
  • Refractive Index: 1.532

Oxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one,2,3,6,7,7a,8,10a,10b-octahydro-1a,5-dimethyl-8-methylene- Related Literature

2513-77-1 (Oxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one,2,3,6,7,7a,8,10a,10b-octahydro-1a,5-dimethyl-8-methylene-) Related Products

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