Cas no 33815-57-5 (Di-O-methylbergenin)

Di-O-methylbergenin structure
Di-O-methylbergenin structure
Product Name:Di-O-methylbergenin
CAS No:33815-57-5
MF:C16H20O9
MW:356.324605941772
CID:837569
PubChem ID:13420511
Update Time:2025-04-19

Di-O-methylbergenin Chemical and Physical Properties

Names and Identifiers

    • Di-O-methylbergenin
    • (2R,3S,4S,4aR,10bS)-3,4-Dihydroxy-2-(hydroxymethyl)-8,9,10-trimet hoxy-3,4,4a,10b-tetrahydropyrano[3,2-c]isochromen-6(2H)-one
    • 2.3-Dihydroxy-2-cyclopenten-1-on
    • 2-hydroxytetronic acid
    • 3,4-Dihydroxy-5H-furan-2-on
    • 3,4-dihydroxy-5H-furan-2-one
    • 8,10-di-O-methylbergenin
    • dimethylbergenin
    • tri-O-methylnorbergenin
    • (2R,3S,4S,4aR,10bS)-3,4-dihydroxy-2-(hydroxymethyl)-8,9,10-trimethoxy-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-6-one
    • AKOS032961583
    • 33815-57-5
    • (2R,3S,4S,4aR,10bS)-3,4,4a,10b-Tetrahydro-3,4-dihydroxy-2-(hydroxymethyl)-8,9,10-trimethoxypyrano[3,2-c][2]benzopyran-6(2H)-one; Dimethylbergenin
    • FS-9768
    • CHEMBL2018644
    • [ "" ]
    • Inchi: 1S/C16H20O9/c1-21-7-4-6-9(13(23-3)12(7)22-2)14-15(25-16(6)20)11(19)10(18)8(5-17)24-14/h4,8,10-11,14-15,17-19H,5H2,1-3H3
    • InChI Key: RGHGUQJYNLPWPT-UHFFFAOYSA-N
    • SMILES: COC1C(OC)=C(OC)C2=C(C(OC3C2OC(CO)C(O)C3O)=O)C=1

Computed Properties

  • Exact Mass: 356.11100
  • Monoisotopic Mass: 356.11073221g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 4
  • Complexity: 486
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 5
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.3
  • Topological Polar Surface Area: 124?2

Experimental Properties

  • Color/Form: Powder
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 454.3±40.0 °C at 760 mmHg
  • Flash Point: 228.5±27.3 °C
  • PSA: 123.91000
  • LogP: -0.59460
  • Vapor Pressure: 0.0±1.2 mmHg at 25°C

Di-O-methylbergenin Security Information

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