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Search term: 24654422 (Found by CSID)
ChemSpider 2D Image | mollicellin L | C22H20O7

mollicellin L

  • Molecular FormulaC22H20O7
  • Average mass396.390 Da
  • Monoisotopic mass396.120911 Da
  • ChemSpider ID24654422

More details:

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

1179374-64-1 [RN]
11H-Dibenzo[b,e][1,4]dioxepin-4-carboxaldehyde, 3-hydroxy-7-methoxy-1,9-dimethyl-8-(3-methyl-1-oxo-2-buten-1-yl)-11-oxo- [ACD/Index Name]
3-Hydroxy-7-methoxy-1,9-dimethyl-8-(3-methyl-1-oxo-2-buten-1-yl)-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-4-carboxaldehyde
3-Hydroxy-7-methoxy-1,9-dimethyl-8-(3-methyl-2-butenoyl)-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-4-carbaldehyd [German] [ACD/IUPAC Name]
3-Hydroxy-7-methoxy-1,9-dimethyl-8-(3-methyl-2-butenoyl)-11-oxo-11H-dibenzo[b,e][1,4]dioxepine-4-carbaldehyde [ACD/IUPAC Name]
3-Hydroxy-7-méthoxy-1,9-diméthyl-8-(3-méthyl-2-butenoyl)-11-oxo-11H-dibenzo[b,e][1,4]dioxépine-4-carbaldéhyde [French] [ACD/IUPAC Name]
mollicellin L
3-hydroxy-7-methoxy-1,9-dimethyl-8-(3-methylbut-2-enoyl)-11-oxo-11H-dibenzo[b,e][1,4]dioxepine-4-carbaldehyde
68455-12-9 [RN]
MOLLICELLINS
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

UO480V9X2X [DBID]
UNII:UO480V9X2X [DBID]
UNII-UO480V9X2X [DBID]
  • Miscellaneous

    • Chemical Class:

      A member of the class of depsidones that is 11<element>H</element>-dibenzo[<ital>b,e</ital>][1,4]dioxepine substituted by a hydroxy group at position 3, a methoxy group at position 7, methyl groups at positions 1 and 9, a 3-methylbut-2-enoyl group at position 8, a formyl group at position 4 and an oxo group at position 11. Isolated from <ital>Chaetomium brasiliense</ital>, it exhibits antimalarial and cytotoxic activities. ChEBI CHEBI:68725
      A member of the class of depsidones that is 11H-dibenzo[b,e][1,4]dioxepine substituted by a hydroxy group at position 3, a methoxy group at position 7, methyl groups at positions 1 and 9, a 3-methylbu t-2-enoyl group at position 8, a formyl group at position 4 and an oxo group at position 11. Isolated from Chaetomium brasiliense, it exhibits antimalarial and cytotoxic activities. ChEBI CHEBI:68725
      A member of the class of depsidones that is 11H-dibenzo[b,e][1,4]dioxepine substituted by a hydroxy group at position 3, a methoxy group at position 7, methyl groups at; positions 1 and 9, a 3-methyl but-2-enoyl group at position 8, a formyl group at position 4 and an oxo group at position 11. Isolated from Chaetomium brasiliense, it exhibits antimalarial; and cytotoxic activities. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:68725

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

Density: 1.3±0.1 g/cm3
Boiling Point: 623.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.7±3.0 kJ/mol
Flash Point: 219.4±25.0 °C
Index of Refraction: 1.615
Molar Refractivity: 105.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.31
ACD/LogD (pH 5.5): 4.06
ACD/BCF (pH 5.5): 682.92
ACD/KOC (pH 5.5): 3490.04
ACD/LogD (pH 7.4): 2.85
ACD/BCF (pH 7.4): 41.38
ACD/KOC (pH 7.4): 211.48
Polar Surface Area: 99 Å2
Polarizability: 42.0±0.5 10-24cm3
Surface Tension: 52.1±3.0 dyne/cm
Molar Volume: 303.5±3.0 cm3

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