Cas no 1461-34-3 (Azuleno[6,5-b]furan-2(3H)-one,3a,4,4a,5,6,7,9,9a-octahydro-5-hydroxy-5,8-dimethyl-3-methylene-,(3aR,4aR,5R,9aR)-)

Azuleno[6,5-b]furan-2(3H)-one,3a,4,4a,5,6,7,9,9a-octahydro-5-hydroxy-5,8-dimethyl-3-methylene-,(3aR,4aR,5R,9aR)- structure
1461-34-3 structure
Product Name:Azuleno[6,5-b]furan-2(3H)-one,3a,4,4a,5,6,7,9,9a-octahydro-5-hydroxy-5,8-dimethyl-3-methylene-,(3aR,4aR,5R,9aR)-
CAS No:1461-34-3
MF:C15H20O3
MW:248.317504882813
CID:165473
PubChem ID:257279
Update Time:2025-04-19

Azuleno[6,5-b]furan-2(3H)-one,3a,4,4a,5,6,7,9,9a-octahydro-5-hydroxy-5,8-dimethyl-3-methylene-,(3aR,4aR,5R,9aR)- Chemical and Physical Properties

Names and Identifiers

    • Azuleno[6,5-b]furan-2(3H)-one,3a,4,4a,5,6,7,9,9a-octahydro-5-hydroxy-5,8-dimethyl-3-methylene-,(3aR,4aR,5R,9aR)-
    • (3aR,8R,8aR,9aR)-8-hydroxy-5,8-dimethyl-1-methylidene-4,6,7,8a,9,9a-hexahydro-3aH-azuleno[6,5-b]furan-2-one
    • (3ar,4ar,5r,9ar)-5-hydroxy-5,8-dimethyl-3-methylidene-3a,4,4a,5,6,7,9,9a-octahydroazuleno[6,5-b]furan-2(3h)-one
    • AC1L5WFB
    • AC1Q69JP
    • C09534
    • CTK4C4817
    • KST-1A1472
    • NSC85243
    • Pseudoivalin
    • Pseuudoivalin
    • (3aR,4aR,5R,9aR)-5-Hydroxy-5,8-dimethyl-3-methylene-3a,4,4a,5,6,7,9,9a-octahydroazuleno[6,5-b]furan-2(3H)-one
    • NSC 85243
    • CHEMBL3593384
    • NSC-85243
    • Q27108110
    • DTXSID40292745
    • CHEBI:8606
    • 1461-34-3
    • [3aR-(3aalpha,4aalpha,5alpha,9abeta)]-3a,4,4a,5,6,7,9,9a-Octahydro-5-hydroxy-5,8-dimethyl-3-methylene-azuleno[6,5-b]furan-2(3H)-one
    • Inchi： 1S/C15H20O3/c1-8-6-13-11(9(2)14(16)18-13)7-12-10(8)4-5-15(12,3)17/h11-13,17H,2,4-7H2,1,3H3/t11-,12-,13-,15-/m1/s1
    • InChI Key： CLYBLORMANTURF-RGCMKSIDSA-N
    • SMILES： O[C@]1(C)CCC2=C(C)C[C@@H]3[C@@H](C(=C)C(=O)O3)C[C@@H]12

Computed Properties

  • Exact Mass: 248.1413
  • Monoisotopic Mass: 248.14124450g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 0
  • Complexity: 462
  • 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: 1.3
  • Topological Polar Surface Area: 46.5?2

Experimental Properties

  • PSA: 46.53
  • LogP: 2.35550

Azuleno[6,5-b]furan-2(3H)-one,3a,4,4a,5,6,7,9,9a-octahydro-5-hydroxy-5,8-dimethyl-3-methylene-,(3aR,4aR,5R,9aR)- Related Literature

Related Categories

1461-34-3 (Azuleno[6,5-b]furan-2(3H)-one,3a,4,4a,5,6,7,9,9a-octahydro-5-hydroxy-5,8-dimethyl-3-methylene-,(3aR,4aR,5R,9aR)-) Related Products

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