ChemSpider 2D Image | Olean-12-ene-3,11-dione | C30H46O2

Olean-12-ene-3,11-dione

  • Molecular FormulaC30H46O2
  • Average mass438.685 Da
  • Monoisotopic mass438.349792 Da
  • ChemSpider ID23339561

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

2935-32-2 [RN]
Olean-12-en-3,11-dion [German] [ACD/IUPAC Name]
Olean-12-ene-3,11-dione [ACD/Index Name] [ACD/IUPAC Name]
Oléan-12-ène-3,11-dione [French] [ACD/IUPAC Name]
(4aR,6aR,6bS,8aR,12aR,14aR,14bS)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,4a,5,6,7,8,9,10,12,12a,14a-dodecahydropicene-3,14-dione
18β(H)-OLEAN-12-ENE-3,11-DIONE
3,11-dioxo-?-amyrene
3,11-dioxo-β-amyrene
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL468665/
MFCD04972119

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 521.9±49.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 79.5±3.0 kJ/mol
    Flash Point: 192.3±26.8 °C
    Index of Refraction: 1.540
    Molar Refractivity: 130.6±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 1
    ACD/LogP: 8.37
    ACD/LogD (pH 5.5): 7.96
    ACD/BCF (pH 5.5): 659707.88
    ACD/KOC (pH 5.5): 509403.88
    ACD/LogD (pH 7.4): 7.96
    ACD/BCF (pH 7.4): 659707.88
    ACD/KOC (pH 7.4): 509403.88
    Polar Surface Area: 34 Å2
    Polarizability: 51.8±0.5 10-24cm3
    Surface Tension: 40.4±5.0 dyne/cm
    Molar Volume: 416.6±5.0 cm3

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