Cas no 131436-22-1 (Cercosporamide)

Cercosporamide structure
Cercosporamide structure
Product Name:Cercosporamide
CAS No:131436-22-1
MF:C16H13NO7
MW:331.276924848557
CID:164307
PubChem ID:131379
Update Time:2025-04-19

Cercosporamide Chemical and Physical Properties

Names and Identifiers

    • 4-Dibenzofurancarboxamide,8-acetyl-9,9a-dihydro-1,3,7-trihydroxy-9a-methyl-9-oxo-, (9aS)-
    • Cercosporamide
    • (-)-Cercosporamide
    • (9aS)-8-acetyl-1,3,7-trihydroxy-9a-methyl-9-oxodibenzofuran-4-carboxamide
    • 4-Dibenzofurancarboxamide
    • Cercosporamide from Cercosporidium henningsii
    • (R)-8-Acetyl-9,9a-dihydro-1,3,7-trihydroxy-9aβ-methyl-9-oxodibenzofuran-4-carboxamide
    • GEWLYFZWVLXQME-MRXNPFEDSA-N
    • (9aS)-8-acetyl-1,3,7-trihydroxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide
    • AKOS024458192
    • (R)-8-Acetyl-9,9a-dihydro-1,3,7-trihydroxy-9abeta-methyl-9-oxodibenzofuran-4-carboxamide
    • 131436-22-1
    • J-006002
    • CHEBI:78696
    • (9aS)-8-Acetyl-9,9a-dihydro-1,3,7-trihydroxy-9a-methyl-9-oxo-4-dibenzofurancaboxamide
    • 4-Dibenzofurancarboxamide, 8-acetyl-9,9a-dihydro-1,3,7-trihydroxy-9a-methyl-9-oxo-, (S)-
    • CS-4664
    • Q27147917
    • DTXSID40927202
    • 8-Acetyl-1,3,7-trihydroxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboximidic acid
    • F85236
    • SCHEMBL12658718
    • 4-Dibenzofurancarboxamide, 8-acetyl-9,9a-dihydro-1,3,7-trihydroxy-9a-methyl-9-oxo-, (9aS)-
    • HY-16982
    • CHEMBL3416305
    • BDBM50130694
    • NS00126145
    • BS-1165
    • SCHEMBL13308399
    • A937183
    • (S)-8-Acetyl-1,3,7-trihydroxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide
    • EX-A8511
    • DB-247192
    • (1R)-12-acetyl-3,5,13-trihydroxy-1-methyl-11-oxo-8-oxatricyclo[7.4.0.0(2),?]trideca-2,4,6,9,12-pentaene-6-carboxamide
    • Inchi: 1S/C16H13NO7/c1-5(18)10-7(20)4-9-16(2,14(10)22)12-8(21)3-6(19)11(15(17)23)13(12)24-9/h3-4,19-21H,1-2H3,(H2,17,23)/t16-/m1/s1
    • InChI Key: GEWLYFZWVLXQME-MRXNPFEDSA-N
    • SMILES: O1C2C(C(N)=O)=C(C=C(C=2[C@]2(C)C(C(C(C)=O)=C(C=C12)O)=O)O)O

Computed Properties

  • Exact Mass: 331.06900
  • Monoisotopic Mass: 331.06920175g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 2
  • Complexity: 709
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.9
  • Topological Polar Surface Area: 147?2

Experimental Properties

  • Density: 1.7±0.1 g/cm3
  • Boiling Point: 617.3±55.0 °C at 760 mmHg
  • Flash Point: 327.1±31.5 °C
  • Solubility: chloroform: soluble1mg/mL
  • PSA: 148.14000
  • LogP: 1.59870
  • Vapor Pressure: 0.0±1.8 mmHg at 25°C

Cercosporamide Security Information

  • Signal Word:Warning
  • Hazard Statement: H302
  • Warning Statement: P280-P305+P351+P338
  • Hazard Category Code: 22
  • Safety Instruction: H303+H313+H333
  • Hazardous Material Identification: Xn
  • Storage Condition:Please store the product under the recommended conditions in the Certificate of Analysis.

Cercosporamide Pricemore >>

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