ChemSpider 2D Image | oxofangchirine | C37H34N2O7

oxofangchirine

  • Molecular FormulaC37H34N2O7
  • Average mass618.675 Da
  • Monoisotopic mass618.236572 Da
  • ChemSpider ID113591

More details:

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

102516-53-0 [RN]
6,6',7,12-Tetramethoxy-2-methyl-1',2',3',4'-tetradehydroberbaman-15'-on [German] [ACD/IUPAC Name]
6,6',7,12-Tetramethoxy-2-methyl-1',2',3',4'-tetradehydroberbaman-15'-one [ACD/IUPAC Name]
6,6',7,12-Tétraméthoxy-2-méthyl-1',2',3',4'-tétradéhydroberbaman-15'-one [French] [ACD/IUPAC Name]
oxofangchirine
  • Miscellaneous

    • Chemical Class:

      A bisbenzylisoquinoline alkaloid that is 1',2',3',4'-tetradehydroberbaman which has been substituted by a methyl group at position 2, methoxy groups at positions 6, 6', 7, and 12, and an oxo group at the 15' position. Isolated from <ital>Stephania tetrandra</ital>. ChEBI CHEBI:132895
      A bisbenzylisoquinoline alkaloid that is 1',2',3',4'-tetradehydroberbaman which has been substituted by a methyl group at position 2, methoxy groups at positions 6, 6', 7, and 12, and an oxo group at the 15' position. Isolated from Stephania tetrandra. ChEBI CHEBI:132895

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

Density: 1.3±0.1 g/cm3
Boiling Point: 773.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.5±3.0 kJ/mol
Flash Point: 421.4±32.9 °C
Index of Refraction: 1.621
Molar Refractivity: 173.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 3.02
ACD/LogD (pH 5.5): 2.93
ACD/BCF (pH 5.5): 40.42
ACD/KOC (pH 5.5): 169.83
ACD/LogD (pH 7.4): 4.37
ACD/BCF (pH 7.4): 1108.75
ACD/KOC (pH 7.4): 4658.42
Polar Surface Area: 89 Å2
Polarizability: 68.9±0.5 10-24cm3
Surface Tension: 48.2±3.0 dyne/cm
Molar Volume: 494.5±3.0 cm3

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