Found 1 result

Search term: 24674002 (Found by CSID)
ChemSpider 2D Image | mollicellin N | C21H18O8

mollicellin N

  • Molecular FormulaC21H18O8
  • Average mass398.363 Da
  • Monoisotopic mass398.100159 Da
  • ChemSpider ID24674002

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1179374-69-6 [RN]
3,4-Dihydro-8,13-dihydroxy-2,2,5,10-tetramethyl-4,11-dioxo-2H,11H-1-benzopyrano[6,7-b][1,4]benzodioxepin-7-carboxaldehyde
7H,13H-5,10,12-Trioxabenzo[4,5]cyclohepta[1,2-b]naphthalene-4-carboxaldehyde, 8,9-dihydro-3,11-dihydroxy-1,6,9,9-tetramethyl-7,13-dioxo- [ACD/Index Name]
8,13-Dihydroxy-2,2,5,10-tetramethyl-4,11-dioxo-3,4-dihydro-2H,11H-chromeno[6,7-b][1,4]benzodioxepin-7-carbaldehyd [German] [ACD/IUPAC Name]
8,13-Dihydroxy-2,2,5,10-tetramethyl-4,11-dioxo-3,4-dihydro-2H,11H-chromeno[6,7-b][1,4]benzodioxepine-7-carbaldehyde [ACD/IUPAC Name]
8,13-Dihydroxy-2,2,5,10-tétraméthyl-4,11-dioxo-3,4-dihydro-2H,11H-chroméno[6,7-b][1,4]benzodioxépine-7-carbaldéhyde [French] [ACD/IUPAC Name]
mollicellin N
68455-12-9 [RN]
MOLLICELLINS
UNII-B811E427JV

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

0U2A24WM0U [DBID]
UNII:0U2A24WM0U [DBID]
UNII-0U2A24WM0U [DBID]
  • Miscellaneous

    • Chemical Class:

      A member of the class of depsidones that is 3,4-dihydro-2<element>H</element>,11<element>H</element>-chromeno[6,7-<ital>b</ital>][1,4]benzodioxepine substituted by hydroxy groups at positions 8 and 13, methyl groups at positions 2, 2, 5 and 10, oxo groups at positions 4 and 11 and a formyl group at position 7. Isolated from <ital>Chaetomium brasiliense</ital>, it exhibits cytotoxic activity. ChEBI CHEBI:68727
      A member of the class of depsidones that is 3,4-dihydro-2H,11H-chromeno[6,7-b][1,4]benzodioxepine substituted by hydroxy groups at positions 8 and ; 13, methyl groups at positions 2, 2, 5 and 10, ox o groups at positions 4 and 11 and a formyl group at position 7. Isolated from Chaetomium brasiliense, it exhibits cytotoxic activity. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:68727
      A member of the class of depsidones that is 3,4-dihydro-2H,11H-chromeno[6,7-b][1,4]benzodioxepine substituted by hydroxy groups at positions 8 and 13, methyl groups at positions 2, 2, 5 and 10, oxo groups at positions 4 and 11 and a formyl group at position 7. Isolated from Chaetomium brasiliense, it exhibits cytotoxic activity. ChEBI CHEBI:68727

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 668.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.8±3.0 kJ/mol
Flash Point: 240.0±25.0 °C
Index of Refraction: 1.648
Molar Refractivity: 100.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.01
ACD/LogD (pH 5.5): 3.60
ACD/BCF (pH 5.5): 293.64
ACD/KOC (pH 5.5): 1849.39
ACD/LogD (pH 7.4): 1.51
ACD/BCF (pH 7.4): 2.42
ACD/KOC (pH 7.4): 15.26
Polar Surface Area: 119 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 61.5±3.0 dyne/cm
Molar Volume: 276.3±3.0 cm3

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