Cas no 31888-76-3 (Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(8H)-one,5-(3,4-dimethoxyphenyl)-)

Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(8H)-one,5-(3,4-dimethoxyphenyl)- structure
31888-76-3 structure
Product Name:Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(8H)-one,5-(3,4-dimethoxyphenyl)-
CAS No:31888-76-3
MF:C21H16O6
MW:364.348146438599
CID:315673
Update Time:2024-01-28

Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(8H)-one,5-(3,4-dimethoxyphenyl)- Chemical and Physical Properties

Names and Identifiers

    • Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(8H)-one,5-(3,4-dimethoxyphenyl)-
    • 1-(3,4-dimethoxyphenyl)-3-hydroxymethyl-6,7-methylenedioxynaphthalene-2-carboxylic acid lactone
    • 4-Deoxyisodiphyllin
    • Chinensin
    • 5-(3,4-Dimethoxyphenyl)furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(8H)-one
    • 6,7-(Epoxymethanoxy)-9-(3,4-dimethoxyphenyl)-1,3-dihydronaphtho[2,3-c]furan-1-one
    • Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(8H)-one, 5-(3,4-dimethoxyphenyl)-
    • Inchi: 1S/C21H16O6/c1-23-15-4-3-11(6-16(15)24-2)19-14-8-18-17(26-10-27-18)7-12(14)5-13-9-25-21(22)20(13)19/h3-8H,9-10H2,1-2H3
    • InChI Key: PJLRAQVYTOCNHT-UHFFFAOYSA-N
    • SMILES: O1C2=CC3C(C=C2OC1)=C(C1=CC=C(OC)C(OC)=C1)C1C(=O)OCC=1C=3

Computed Properties

  • Exact Mass: 364.095
  • Monoisotopic Mass: 364.095
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 27
  • Rotatable Bond Count: 3
  • Complexity: 567
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 63.2A^2

Experimental Properties

  • Density: 1.376±0.06 g/cm3(Predicted)
  • Melting Point: 220-222 °C
  • Boiling Point: 594.9±50.0 °C(Predicted)
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