Cas no 123702-94-3 (2H,6H-Benzo[1,2-b:5,4-b']dipyran-6-one,8-(2,4-dihydroxyphenyl)-7,8-dihydro-5-hydroxy-2-methyl-2-(4-methyl-3-pentenyl)-(9CI))

2H,6H-Benzo[1,2-b:5,4-b']dipyran-6-one,8-(2,4-dihydroxyphenyl)-7,8-dihydro-5-hydroxy-2-methyl-2-(4-methyl-3-pentenyl)-(9CI) structure
123702-94-3 structure
Product Name:2H,6H-Benzo[1,2-b:5,4-b']dipyran-6-one,8-(2,4-dihydroxyphenyl)-7,8-dihydro-5-hydroxy-2-methyl-2-(4-methyl-3-pentenyl)-(9CI)
CAS No:123702-94-3
MF:C25H26O6
MW:422.470347881317
CID:196226
PubChem ID:14539879
Update Time:2025-04-19

2H,6H-Benzo[1,2-b:5,4-b']dipyran-6-one,8-(2,4-dihydroxyphenyl)-7,8-dihydro-5-hydroxy-2-methyl-2-(4-methyl-3-pentenyl)-(9CI) Chemical and Physical Properties

Names and Identifiers

    • 2H,6H-Benzo[1,2-b:5,4-b']dipyran-6-one,8-(2,4-dihydroxyphenyl)-7,8-dihydro-5-hydroxy-2-methyl-2-(4-methyl-3-pentenyl)-(9CI)
    • Kuwanol C
    • [ "" ]
    • 8-(2,4-dihydroxyphenyl)-5-hydroxy-2-methyl-2-(4-methylpent-3-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one
    • CHEBI:175384
    • 123702-94-3
    • LMPK12140516
    • AKOS032962553
    • FS-8621
    • 8-(2,4-dihydroxyphenyl)-5-hydroxy-2-methyl-2-(4-methylpent-3-enyl)-7,8-dihydropyrano(3,2-g)chromen-6-one
    • Inchi: 1S/C25H26O6/c1-14(2)5-4-9-25(3)10-8-17-21(31-25)13-22-23(24(17)29)19(28)12-20(30-22)16-7-6-15(26)11-18(16)27/h5-8,10-11,13,20,26-27,29H,4,9,12H2,1-3H3
    • InChI Key: FBVQKNJIYRJQBU-UHFFFAOYSA-N
    • SMILES: O1C2C=C3C(C(CC(C4C=CC(=CC=4O)O)O3)=O)=C(C=2C=CC1(C)CC/C=C(\C)/C)O

Computed Properties

  • Exact Mass: 422.17300
  • Monoisotopic Mass: 422.17293854g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 31
  • Rotatable Bond Count: 4
  • Complexity: 728
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 5.3
  • Topological Polar Surface Area: 96.2?2

Experimental Properties

  • Color/Form: Powder
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 651.6±55.0 °C at 760 mmHg
  • Flash Point: 224.0±25.0 °C
  • PSA: 96.22000
  • LogP: 5.42060
  • Vapor Pressure: 0.0±2.0 mmHg at 25°C

2H,6H-Benzo[1,2-b:5,4-b']dipyran-6-one,8-(2,4-dihydroxyphenyl)-7,8-dihydro-5-hydroxy-2-methyl-2-(4-methyl-3-pentenyl)-(9CI) Security Information

2H,6H-Benzo[1,2-b:5,4-b']dipyran-6-one,8-(2,4-dihydroxyphenyl)-7,8-dihydro-5-hydroxy-2-methyl-2-(4-methyl-3-pentenyl)-(9CI) Pricemore >>

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