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Search term: 24654423 (Found by CSID)
ChemSpider 2D Image | mollicellin M | C21H17ClO7

mollicellin M

  • Molecular FormulaC21H17ClO7
  • Average mass416.809 Da
  • Monoisotopic mass416.066284 Da
  • ChemSpider ID24654423

More details:

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

1179374-66-3 [RN]
8H,13H-5,7,12-Trioxabenzo[4,5]cyclohepta[1,2-b]naphthalene-4-carboxaldehyde, 2-chloro-9,10-dihydro-3-hydroxy-1,8,8,11-tetramethyl-10,13-dioxo- [ACD/Index Name]
9-Chlor-10-hydroxy-2,2,5,8-tetramethyl-4,7-dioxo-3,4-dihydro-2H,7H-chromeno[7,6-b][1,4]benzodioxepin-11-carbaldehyd [German] [ACD/IUPAC Name]
9-Chloro-10-hydroxy-2,2,5,8-tetramethyl-4,7-dioxo-3,4-dihydro-2H,7H-chromeno[7,6-b][1,4]benzodioxepine-11-carbaldehyde [ACD/IUPAC Name]
9-Chloro-10-hydroxy-2,2,5,8-tétraméthyl-4,7-dioxo-3,4-dihydro-2H,7H-chroméno[7,6-b][1,4]benzodioxépine-11-carbaldéhyde [French] [ACD/IUPAC Name]
9-Chloro-3,4-dihydro-10-hydroxy-2,2,5,8-tetramethyl-4,7-dioxo-2H,7H-1-benzopyrano[7,6-b][1,4]benzodioxepin-11-carboxaldehyde
mollicellin M
2H,11H-1-Benzopyrano(6,7-b)(1,4)benzodioxepin-7-carboxaldehyde, 9-chloro-3,4-dihydro-8,13-dihydroxy-2,2,5,10-tetramethyl-4,11-dioxo-
68455-12-9 [RN]
9-Chloro-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
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

XOG346ACOO [DBID]
UNII:XOG346ACOO [DBID]
UNII-XOG346ACOO [DBID]
  • Miscellaneous

    • Chemical Class:

      A member of the class of depsidones that is 3,4-dihydro-2<element>H</element>,7<element>H</element>-chromeno[7,6-<ital>b</ital>][1,4]benzodioxepine substituted by a chloro group at position 9, a hyd roxy group at position 10, methyl groups at positions 2, 2, 5 and 8, a formyl group at position 11 and oxo groups at positions 4 and 7. Isolated from <ital>Chaetomium brasiliense</ital> it exhibits an timalarial and cytotoxic activities. ChEBI CHEBI:68726
      A member of the class of depsidones that is 3,4-dihydro-2H,7H-chromeno[7,6-b][1,4]benzodioxepine substituted by a chloro group at position 9, a hyd; roxy group at position 10, methyl groups at posit ions 2, 2, 5 and 8, a formyl group at position 11 and oxo groups at positions 4 and 7. Isolated from Chaetomium brasiliense it exhibits an; timalarial and cytotoxic activities. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:68726
      A member of the class of depsidones that is 3,4-dihydro-2H,7H-chromeno[7,6-b][1,4]benzodioxepine substituted by a chloro group at position 9, a hydroxy group at position 10, methyl groups at positio ns 2, 2, 5 and 8, a formyl group at position 11 and oxo groups at positions 4 and 7. Isolated from Chaetomium brasiliense it exhibits antimalarial and cytotoxic activities. ChEBI CHEBI:68726

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

Density: 1.4±0.1 g/cm3
Boiling Point: 639.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.8±3.0 kJ/mol
Flash Point: 340.5±31.5 °C
Index of Refraction: 1.633
Molar Refractivity: 103.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.73
ACD/LogD (pH 5.5): 3.76
ACD/BCF (pH 5.5): 254.23
ACD/KOC (pH 5.5): 1005.28
ACD/LogD (pH 7.4): 2.06
ACD/BCF (pH 7.4): 5.10
ACD/KOC (pH 7.4): 20.17
Polar Surface Area: 99 Å2
Polarizability: 41.0±0.5 10-24cm3
Surface Tension: 56.8±3.0 dyne/cm
Molar Volume: 289.8±3.0 cm3

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