Cas no 62218-23-9 (3-O-Methylducheside A)

3-O-Methylducheside A structure
3-O-Methylducheside A structure
Product Name:3-O-Methylducheside A
CAS No:62218-23-9
MF:C21H18O12
MW:462.360427379608
MDL:MFCD05260674
CID:836864
PubChem ID:329769964
Update Time:2025-07-11

3-O-Methylducheside A Chemical and Physical Properties

Names and Identifiers

    • [1]Benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione, 2-hydroxy-3,8-dimethoxy-7-(b-D-xylopyranosyloxy)-
    • 3-O-Methylducheside A
    • [1]Benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione,2-hydroxy-3,8-dimethoxy-7-(b-D-xylopyranosyloxy)-
    • 3,3′-Di-O-methyl ellagic acid 4′-O-β-D-xylopyranoside
    • 7-Hydroxy-3,8-dimethoxy-5,10-dioxo-5,10-dihydrochromeno[5,4,3-cde ]chromen-2-yl β-D-xylopyranoside
    • 2-Hydroxy-3,8-dimethoxy-7-(β-D-xylopyranosyloxy)-[1]benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione
    • 3,3′-Di-O-methyl-4-O-((β-D-xylopyranosyl)ellagic acid
    • 3,3'-Di-O-methylellagic acid 4'-O-beta-D-xylopyranoside
    • 3,3'-Di-O-methylellagic acid 4'-beta-O-xylopyranoside
    • 3
    • 6-hydroxy-7,14-dimethoxy-13-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-2,9-dioxatetracyclo[6.6.2.0^{4,16.0^{11,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione
    • 62218-23-9
    • B0005-190214
    • 6-Hydroxy-7,14-dimethoxy-13-(3,4,5-trihydroxyoxan-2-yl)oxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione
    • DA-69993
    • MDL: MFCD05260674
    • Inchi: 1S/C21H18O12/c1-28-15-8(22)3-6-11-12-7(20(27)32-17(11)15)4-10(16(29-2)18(12)33-19(6)26)31-21-14(25)13(24)9(23)5-30-21/h3-4,9,13-14,21-25H,5H2,1-2H3
    • InChI Key: UDWUZPSSUIWBKB-UHFFFAOYSA-N
    • SMILES: O1CC(C(C(C1OC1C=C2C(=O)OC3=C(C(=CC4C(=O)OC(C=1OC)=C2C=43)O)OC)O)O)O

Computed Properties

  • Exact Mass: 462.07982601g/mol
  • Monoisotopic Mass: 462.07982601g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 12
  • Heavy Atom Count: 33
  • Rotatable Bond Count: 4
  • Complexity: 776
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 4
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0
  • Topological Polar Surface Area: 170?2

Experimental Properties

  • Color/Form: Powder
  • Density: 1.7±0.1 g/cm3
  • Boiling Point: 843.5±65.0 °C at 760 mmHg
  • Flash Point: 299.7±27.8 °C
  • PSA: 178.26000
  • LogP: 0.03100
  • Vapor Pressure: 0.0±3.3 mmHg at 25°C

3-O-Methylducheside A Security Information

3-O-Methylducheside A Pricemore >>

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