ChemSpider 2D Image | (3beta,5xi,18alpha)-3-Acetoxyolean-12-en-28-oic acid | C32H50O4

(3β,5ξ,18α)-3-Acetoxyolean-12-en-28-oic acid

  • Molecular FormulaC32H50O4
  • Average mass498.737 Da
  • Monoisotopic mass498.370911 Da
  • ChemSpider ID58801785

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(3β,5ξ,18α)-3-Acetoxyolean-12-en-28-oic acid [ACD/IUPAC Name]
(3β,5ξ,18α)-3-Acetoxyolean-12-en-28-säure [German] [ACD/IUPAC Name]
Acide (3β,5ξ,18α)-3-acétoxyoléan-12-én-28-oïque [French] [ACD/IUPAC Name]
Olean-12-en-28-oic acid, 3-(acetyloxy)-, (3β,5ξ,18α)- [ACD/Index Name]
(4aS,6aS,6bR,10S,12aR,12bR,14bR)-10-acetoxy-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid
3-O-acetyloleanolic acid
4339-72-4 [RN]
MFCD09752429

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 564.4±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.3 mmHg at 25°C
    Enthalpy of Vaporization: 92.7±6.0 kJ/mol
    Flash Point: 170.4±23.6 °C
    Index of Refraction: 1.545
    Molar Refractivity: 143.2±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 1
    ACD/LogP: 9.95
    ACD/LogD (pH 5.5): 8.57
    ACD/BCF (pH 5.5): 1000000.00
    ACD/KOC (pH 5.5): 415632.09
    ACD/LogD (pH 7.4): 6.76
    ACD/BCF (pH 7.4): 18123.44
    ACD/KOC (pH 7.4): 6542.27
    Polar Surface Area: 64 Å2
    Polarizability: 56.8±0.5 10-24cm3
    Surface Tension: 44.0±5.0 dyne/cm
    Molar Volume: 452.6±5.0 cm3

    Click to predict properties on the Chemicalize site


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