ChemSpider 2D Image | 24-Hydroxyolean-12-ene-3,22-dione | C30H46O3

24-Hydroxyolean-12-ene-3,22-dione

  • Molecular FormulaC30H46O3
  • Average mass454.684 Da
  • Monoisotopic mass454.344696 Da
  • ChemSpider ID33823649

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

24-Hydroxyolean-12-en-3,22-dion [German] [ACD/IUPAC Name]
24-Hydroxyolean-12-ene-3,22-dione [ACD/IUPAC Name]
24-Hydroxyoléan-12-ène-3,22-dione [French] [ACD/IUPAC Name]
Olean-12-ene-3,22-dione, 24-hydroxy- [ACD/Index Name]
(4S,4aR,6aR,6bS,8aR,12aS,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,4a,5,6,7,8,10,12,12a,14,14a-dodecahydropicene-3,9-dione
[91269-84-0] [RN]
91269-84-0 [RN]
Melilotigenin B
MFCD20274993

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 552.8±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.4 mmHg at 25°C
    Enthalpy of Vaporization: 95.8±6.0 kJ/mol
    Flash Point: 302.2±26.6 °C
    Index of Refraction: 1.552
    Molar Refractivity: 132.2±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 1
    ACD/LogP: 6.47
    ACD/LogD (pH 5.5): 6.51
    ACD/BCF (pH 5.5): 52368.36
    ACD/KOC (pH 5.5): 83079.01
    ACD/LogD (pH 7.4): 6.51
    ACD/BCF (pH 7.4): 52368.36
    ACD/KOC (pH 7.4): 83079.01
    Polar Surface Area: 54 Å2
    Polarizability: 52.4±0.5 10-24cm3
    Surface Tension: 44.2±5.0 dyne/cm
    Molar Volume: 413.8±5.0 cm3

    Click to predict properties on the Chemicalize site


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