ChemSpider 2D Image | (1S,8R,10S,11R)-3-Methoxy-11-methyl-10-(3,4,5-trimethoxyphenyl)-7-oxatricyclo[6.3.1.0~1,6~]dodeca-2,5-dien-4-one | C22H26O6

(1S,8R,10S,11R)-3-Methoxy-11-methyl-10-(3,4,5-trimethoxyphenyl)-7-oxatricyclo[6.3.1.01,6]dodeca-2,5-dien-4-one

  • Molecular FormulaC22H26O6
  • Average mass386.438 Da
  • Monoisotopic mass386.172943 Da
  • ChemSpider ID35293839

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S,8R,10S,11R)-3-Methoxy-11-methyl-10-(3,4,5-trimethoxyphenyl)-7-oxatricyclo[6.3.1.01,6]dodeca-2,5-dien-4-on [German] [ACD/IUPAC Name]
(1S,8R,10S,11R)-3-Methoxy-11-methyl-10-(3,4,5-trimethoxyphenyl)-7-oxatricyclo[6.3.1.01,6]dodeca-2,5-dien-4-one [ACD/IUPAC Name]
(1S,8R,10S,11R)-3-Méthoxy-11-méthyl-10-(3,4,5-triméthoxyphényl)-7-oxatricyclo[6.3.1.01,6]dodéca-2,5-dién-4-one [French] [ACD/IUPAC Name]
8H-2,5a-Methano-1-benzoxepin-8-one, 2,3,4,5-tetrahydro-7-methoxy-5-methyl-4-(3,4,5-trimethoxyphenyl)-, (2R,4S,5R,5aS)- [ACD/Index Name]
[82427-77-8] [RN]
82427-77-8 [RN]
Maglifloenone
MFCD20274998

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 545.3±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 82.4±3.0 kJ/mol
    Flash Point: 237.6±30.2 °C
    Index of Refraction: 1.578
    Molar Refractivity: 102.8±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.36
    ACD/LogD (pH 5.5): 2.72
    ACD/BCF (pH 5.5): 68.59
    ACD/KOC (pH 5.5): 717.79
    ACD/LogD (pH 7.4): 2.72
    ACD/BCF (pH 7.4): 68.59
    ACD/KOC (pH 7.4): 717.79
    Polar Surface Area: 63 Å2
    Polarizability: 40.8±0.5 10-24cm3
    Surface Tension: 48.0±5.0 dyne/cm
    Molar Volume: 309.9±5.0 cm3

    Click to predict properties on the Chemicalize site


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