Cas no 28441-98-7 ([6,8'-Bi-4H-1-benzopyran]-4,4'-dione,5,5',7,7'-tetrahydroxy-2,2'-bis(4-hydroxyphenyl)-)

[6,8'-Bi-4H-1-benzopyran]-4,4'-dione,5,5',7,7'-tetrahydroxy-2,2'-bis(4-hydroxyphenyl)- structure
28441-98-7 structure
Product Name:[6,8'-Bi-4H-1-benzopyran]-4,4'-dione,5,5',7,7'-tetrahydroxy-2,2'-bis(4-hydroxyphenyl)-
CAS No:28441-98-7
MF:C30H18O10
MW:538.457929134369
CID:275164
PubChem ID:5281599
Update Time:2025-04-19

[6,8'-Bi-4H-1-benzopyran]-4,4'-dione,5,5',7,7'-tetrahydroxy-2,2'-bis(4-hydroxyphenyl)- Chemical and Physical Properties

Names and Identifiers

    • [6,8'-Bi-4H-1-benzopyran]-4,4'-dione,5,5',7,7'-tetrahydroxy-2,2'-bis(4-hydroxyphenyl)-
    • 8-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-6-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
    • (6,8'-Bi-4H-1-benzopyran)-4,4'-dione, 5,5',7,7'-tetrahydroxy-2,2'-bis(4-hydroxyphenyl)-
    • 5,5',7,7'-Tetrahydroxy-2,2'-bis(4-hydroxyphenyl)-4H,4'H-6,8'-bichromene-4,4'-dione
    • Agathisflavone
    • BDBM50478418
    • 28441-98-7
    • AKOS040745510
    • 6,8''-Biapigenin
    • CHEMBL65320
    • SCHEMBL616142
    • DTXSID30182641
    • NCGC00384551-01!8-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-6-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
    • 8-[5, 7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-6-yl]-5, 7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
    • 5,5',7,7'-tetrahydroxy-2,2'-bis(4-hydroxyphenyl)-(6,8'-bi-4H-1-benzopyran)-4,4'-dione
    • CHEBI:2512
    • CS-0065801
    • 8-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-chromen-6-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
    • 7''-methyl-agathisflavone
    • C10017
    • 5,5',7,7'-tetrahydroxy-2,2'-bis(4-hydroxyphenyl)-6,8'-bichromene-4,4'-dione
    • LMPK12040008
    • HY-118383
    • Q27105695
    • Inchi： 1S/C30H18O10/c31-15-5-1-13(2-6-15)22-11-20(36)26-24(39-22)12-21(37)27(29(26)38)28-18(34)9-17(33)25-19(35)10-23(40-30(25)28)14-3-7-16(32)8-4-14/h1-12,31-34,37-38H
    • InChI Key： BACLASYRJRZXMY-UHFFFAOYSA-N
    • SMILES： O1C(C2C=CC(=CC=2)O)=CC(C2=C(C=C(C(=C12)C1C(=CC2=C(C(C=C(C3C=CC(=CC=3)O)O2)=O)C=1O)O)O)O)=O

Computed Properties

  • Exact Mass: 538.08994
  • Monoisotopic Mass: 538.08999677g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 10
  • Heavy Atom Count: 40
  • Rotatable Bond Count: 3
  • Complexity: 1040
  • 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
  • XLogP3: 5
  • Topological Polar Surface Area: 174?2

Experimental Properties

  • PSA: 173.98

[6,8'-Bi-4H-1-benzopyran]-4,4'-dione,5,5',7,7'-tetrahydroxy-2,2'-bis(4-hydroxyphenyl)- Related Literature

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