Cas no 17441-87-1 (6-hydroxy-3',5-dimethoxy-1-methyl-1,2,3,8,9,9a-hexahydro-4'H-spiro[benzo[de]quinoline-7,1'-cyclohexa[2,5]dien]-4'-one)

6-hydroxy-3',5-dimethoxy-1-methyl-1,2,3,8,9,9a-hexahydro-4'H-spiro[benzo[de]quinoline-7,1'-cyclohexa[2,5]dien]-4'-one structure
17441-87-1 structure
Product Name:6-hydroxy-3',5-dimethoxy-1-methyl-1,2,3,8,9,9a-hexahydro-4'H-spiro[benzo[de]quinoline-7,1'-cyclohexa[2,5]dien]-4'-one
CAS No:17441-87-1
MF:C20H23NO4
MW:341.40092587471
CID:1359675
PubChem ID:192938
Update Time:2025-04-20

6-hydroxy-3',5-dimethoxy-1-methyl-1,2,3,8,9,9a-hexahydro-4'H-spiro[benzo[de]quinoline-7,1'-cyclohexa[2,5]dien]-4'-one Chemical and Physical Properties

Names and Identifiers

    • 6-hydroxy-3',5-dimethoxy-1-methyl-1,2,3,8,9,9a-hexahydro-4'H-spiro[benzo[de]quinoline-7,1'-cyclohexa[2,5]dien]-4'-one
    • 1,2,3,8,9,9a-Hexahydro-6-hydroxy-3',5-dimethoxy-1-methylspiro(7H-benzo(de)quinoline-7,1'-(2,5)cyclohexadien)-4'-one
    • (7R,9aS)-1,2,3,8,9,9a-Hexahydro-6-hydroxy-3',5-dimethoxy-1-methylspiro[7H-benzo[de]quinoline-7,1'-[2,5]cyclohexadien]-4'-one
    • Kreysiginone
    • 6-Hydroxy-3',5-dimethoxy-1-methyl-1,2,3,8,9,9a-hexahydrospiro[benzo[de]quinoline-7,1'-cyclohexa[2,5]dien]-4'-one
    • DTXSID10938507
    • 17441-87-1
    • 6-hydroxy-2',5-dimethoxy-1-methylspiro[3,8,9,9a-tetrahydro-2H-benzo[de]quinoline-7,4'-cyclohexa-2,5-diene]-1'-one
    • Inchi： 1S/C20H23NO4/c1-21-9-6-12-10-15(24-2)19(23)18-17(12)13(21)4-7-20(18)8-5-14(22)16(11-20)25-3/h5,8,10-11,13,23H,4,6-7,9H2,1-3H3
    • InChI Key： MVSOEABWRCVGSX-UHFFFAOYSA-N
    • SMILES： COC1C(=O)C=CC2(C3=C4C(=CC(=C3O)OC)CCN(C)C4CC2)C=1

Computed Properties

  • Exact Mass: 341.16279
  • Monoisotopic Mass: 341.163
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 2
  • Complexity: 615
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.8
  • Topological Polar Surface Area: 59A^2

Experimental Properties

  • Density: 1.3
  • Boiling Point: 529.5°C at 760 mmHg
  • Flash Point: 274°C
  • Refractive Index: 1.638
  • PSA: 59

6-hydroxy-3',5-dimethoxy-1-methyl-1,2,3,8,9,9a-hexahydro-4'H-spiro[benzo[de]quinoline-7,1'-cyclohexa[2,5]dien]-4'-one Related Literature

Related Categories

17441-87-1 (6-hydroxy-3',5-dimethoxy-1-methyl-1,2,3,8,9,9a-hexahydro-4'H-spiro[benzo[de]quinoline-7,1'-cyclohexa[2,5]dien]-4'-one) Related Products

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