ChemSpider 2D Image | dehydroeburicoic acid | C31H48O3

dehydroeburicoic acid

  • Molecular FormulaC31H48O3
  • Average mass468.711 Da
  • Monoisotopic mass468.360352 Da
  • ChemSpider ID26344258

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(3β)-3-Hydroxy-24-methylenelanosta-7,9(11)-dien-21-oic acid [ACD/IUPAC Name]
(3β)-3-Hydroxy-24-methylenlanosta-7,9(11)-dien-21-säure [German] [ACD/IUPAC Name]
6879-05-6 [RN]
Acide (3β)-3-hydroxy-24-méthylènelanosta-7,9(11)-dién-21-oïque [French] [ACD/IUPAC Name]
dehydroeburicoic acid
Lanosta-7,9(11)-dien-21-oic acid, 3-hydroxy-24-methylene-, (3β)- [ACD/Index Name]
(2R)-2-[(1R,3aR,5aR,7S,9aS,11aR)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,11H,11aH-cyclopenta[a]phenanthren-1-yl]-6-methyl-5-methylideneheptanoic acid
dehydroeburicoicacid
Dehydrotrametenolic acid
MFCD29048530

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 590.4±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.8 mmHg at 25°C
    Enthalpy of Vaporization: 101.1±6.0 kJ/mol
    Flash Point: 324.9±26.6 °C
    Index of Refraction: 1.550
    Molar Refractivity: 139.4±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 1
    ACD/LogP: 8.85
    ACD/LogD (pH 5.5): 7.02
    ACD/BCF (pH 5.5): 76696.69
    ACD/KOC (pH 5.5): 59590.50
    ACD/LogD (pH 7.4): 5.22
    ACD/BCF (pH 7.4): 1206.85
    ACD/KOC (pH 7.4): 937.68
    Polar Surface Area: 58 Å2
    Polarizability: 55.3±0.5 10-24cm3
    Surface Tension: 43.0±5.0 dyne/cm
    Molar Volume: 437.9±5.0 cm3

    Click to predict properties on the Chemicalize site


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