ChemSpider 2D Image | (4aR,6aS,8aR,8bR,9aS,12R,12aR,14aR,14bR)-12-(3-Furyl)-6,6,8a,12a-tetramethyldecahydro-3H-oxireno[d]pyrano[4',3':3,3a][2]benzofuro[5,4-f]isochromene-3,8,10(6H,9aH)-trione | C26H30O8

(4aR,6aS,8aR,8bR,9aS,12R,12aR,14aR,14bR)-12-(3-Furyl)-6,6,8a,12a-tetramethyldecahydro-3H-oxireno[d]pyrano[4',3':3,3a][2]benzofuro[5,4-f]isochromene-3,8,10(6H,9aH)-trione

  • Molecular FormulaC26H30O8
  • Average mass470.512 Da
  • Monoisotopic mass470.194061 Da
  • ChemSpider ID32697055

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(4aR,6aS,8aR,8bR,9aS,12R,12aR,14aR,14bR)-12-(3-Furyl)-6,6,8a,12a-tetramethyldecahydro-3H-oxireno[d]pyrano[4',3':3,3a][2]benzofuro[5,4-f]isochromen-3,8,10(6H,9aH)-trion [German] [ACD/IUPAC Name]
(4aR,6aS,8aR,8bR,9aS,12R,12aR,14aR,14bR)-12-(3-Furyl)-6,6,8a,12a-tetramethyldecahydro-3H-oxireno[d]pyrano[4',3':3,3a][2]benzofuro[5,4-f]isochromene-3,8,10(6H,9aH)-trione [ACD/IUPAC Name]
(4aR,6aS,8aR,8bR,9aS,12R,12aR,14aR,14bR)-12-(3-Furyl)-6,6,8a,12a-tétraméthyldécahydro-3H-oxiréno[d]pyrano[4',3':3,3a][2]benzofuro[5,4-f]isochromène-3,8,10(6H,9aH)-trione [French] [ACD/IUPAC Name]
1H,3H-Oxireno[c]pyrano[4'',3'':2',3']furo[3',4':5,6]naphtho[1,2-d]pyran-3,8,10(6H,9aH)-trione, 12-(3-furanyl)decahydro-6,6,8a,12a-tetramethyl-, (4aR,6aS,8aR,8bR,9aS,12R,12aR,14aR,14bR)- [ACD/Index Name]
1180-71-8 [RN]
Evodine
Limonin [Wiki]
Limonoic acid 3,19:16,17 dilactone
MFCD00075922 [MDL number]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 668.4±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 98.2±3.0 kJ/mol
    Flash Point: 358.0±31.5 °C
    Index of Refraction: 1.602
    Molar Refractivity: 116.1±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 1.66
    ACD/LogD (pH 5.5): 1.60
    ACD/BCF (pH 5.5): 9.75
    ACD/KOC (pH 5.5): 177.68
    ACD/LogD (pH 7.4): 1.60
    ACD/BCF (pH 7.4): 9.75
    ACD/KOC (pH 7.4): 177.68
    Polar Surface Area: 105 Å2
    Polarizability: 46.0±0.5 10-24cm3
    Surface Tension: 57.5±5.0 dyne/cm
    Molar Volume: 338.3±5.0 cm3

    Click to predict properties on the Chemicalize site


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