Cas no 120139-69-7 ([1]Benzopyrano[5,4,3-cde][1,3]dioxolo[4,5-h][1]benzopyran-5,11-dione,1,2,3,6-tetramethoxy- (9CI))

[1]Benzopyrano[5,4,3-cde][1,3]dioxolo[4,5-h][1]benzopyran-5,11-dione,1,2,3,6-tetramethoxy- (9CI) structure
120139-69-7 structure
Product Name:[1]Benzopyrano[5,4,3-cde][1,3]dioxolo[4,5-h][1]benzopyran-5,11-dione,1,2,3,6-tetramethoxy- (9CI)
CAS No:120139-69-7
MF:C19H14O10
MW:402.308466434479
CID:159653
PubChem ID:129051
Update Time:2025-04-19

[1]Benzopyrano[5,4,3-cde][1,3]dioxolo[4,5-h][1]benzopyran-5,11-dione,1,2,3,6-tetramethoxy- (9CI) Chemical and Physical Properties

Names and Identifiers

    • [1]Benzopyrano[5,4,3-cde][1,3]dioxolo[4,5-h][1]benzopyran-5,11-dione,1,2,3,6-tetramethoxy- (9CI)
    • 3,4,5,5'-O-tetramethyl-3',4'-O,O-methylidenecoruleoellagic acid d
    • (1)Benzopyrano(5,4,3-cde)(1,3)dioxolo(4,5-h)(1)benzopyran-5,11-dione, 1,2,3,6-tetramethoxy-
    • 1,2,3,6-tetramethoxychromeno[5,4,3-cde][1,3]dioxolo[4,5-h]chromene-5,11-dione
    • 3,4,5-Tmmce
    • 7,12,13,14-tetramethoxy-3,5,10,17-tetraoxapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1,6,8(18),11,13,15(19)-hexaene-9,16-dione
    • 120139-69-7
    • DTXSID00152694
    • 3,4,5,5/'-O-tetramethyl-3/',4/'-O,O-methylidenecoruleoellagic acid d
    • Inchi: 1S/C19H14O10/c1-22-10-8-6-7-9(19(21)28-12(6)15(25-4)14(10)24-3)11(23-2)16-17(27-5-26-16)13(7)29-18(8)20/h5H2,1-4H3
    • InChI Key: PMZJAAPNTLEPIL-UHFFFAOYSA-N
    • SMILES: O1C(C2C(=C(C(=C3C=2C2=C1C1=C(C(=C2C(=O)O3)OC)OCO1)OC)OC)OC)=O

Computed Properties

  • Exact Mass: 402.05862
  • Monoisotopic Mass: 402.05869664g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 10
  • Heavy Atom Count: 29
  • Rotatable Bond Count: 4
  • Complexity: 684
  • 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: 2.2
  • Topological Polar Surface Area: 108?2

Experimental Properties

  • PSA: 107.98
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