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Search term: NJSITOSCQOTWFD (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (3beta)-3-Hydroxy-18-methyl-11-oxo-N-propylolean-12-en-30-amide | C34H55NO3

(3β)-3-Hydroxy-18-methyl-11-oxo-N-propylolean-12-en-30-amide

  • Molecular FormulaC34H55NO3
  • Average mass525.805 Da
  • Monoisotopic mass525.418213 Da
  • ChemSpider ID17473671

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3β)-3-Hydroxy-18-methyl-11-oxo-N-propylolean-12-en-30-amid [German] [ACD/IUPAC Name]
(3β)-3-Hydroxy-18-methyl-11-oxo-N-propylolean-12-en-30-amide [ACD/IUPAC Name]
(3β)-3-Hydroxy-18-méthyl-11-oxo-N-propyloléan-12-én-30-amide [French] [ACD/IUPAC Name]
Olean-12-en-30-amide, 3-hydroxy-18-methyl-11-oxo-N-propyl-, (3β)- [ACD/Index Name]
(2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-hydroxy-2,4a,6a,6b,9,9,12a,14b-octamethyl-13-oxo-N-propyl-1,3,4,5,6,6a,7,8,8a,10,11,12-dodecahydropicene-2-carboxamide
1029962-20-6 [RN]

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 638.3±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±4.3 mmHg at 25°C
    Enthalpy of Vaporization: 108.0±6.0 kJ/mol
    Flash Point: 339.9±31.5 °C
    Index of Refraction: 1.548
    Molar Refractivity: 154.4±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 2
    ACD/LogP: 7.35
    ACD/LogD (pH 5.5): 7.19
    ACD/BCF (pH 5.5): 172531.50
    ACD/KOC (pH 5.5): 195041.39
    ACD/LogD (pH 7.4): 7.19
    ACD/BCF (pH 7.4): 172531.69
    ACD/KOC (pH 7.4): 195041.61
    Polar Surface Area: 66 Å2
    Polarizability: 61.2±0.5 10-24cm3
    Surface Tension: 44.1±5.0 dyne/cm
    Molar Volume: 486.0±5.0 cm3

    Click to predict properties on the Chemicalize site


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