ChemSpider 2D Image | Methyl (3alpha,5xi,18alpha)-3-hydroxy-12-oxoolean-9(11)-en-28-oate | C31H48O4

Methyl (3α,5ξ,18α)-3-hydroxy-12-oxoolean-9(11)-en-28-oate

  • Molecular FormulaC31H48O4
  • Average mass484.710 Da
  • Monoisotopic mass484.355255 Da
  • ChemSpider ID29211959

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(3α,5ξ,18α)-3-Hydroxy-12-oxooléan-9(11)-én-28-oate de méthyle [French] [ACD/IUPAC Name]
Methyl (3α,5ξ,18α)-3-hydroxy-12-oxoolean-9(11)-en-28-oate [ACD/IUPAC Name]
Methyl-(3α,5ξ,18α)-3-hydroxy-12-oxoolean-9(11)-en-28-oat [German] [ACD/IUPAC Name]
Olean-9(11)-en-28-oic acid, 3-hydroxy-12-oxo-, methyl ester, (3α,5ξ,18α)- [ACD/Index Name]
(4aS,6aR,6bS,10R,12aS,14aR,14bR)-methyl 10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4a-carboxylate
(4aS,6aR,6bS,10R,12aS,14aR,14bR)methyl-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4a-carboxylate
(4aS,6aR,6bS,10R,12aS,14aR,14bR)-methyl-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4a-carboxylate
65023-19-0 [RN]
CS-13923
methyl (3??,5??,18??)-3-hydroxy-12-oxoolean-9(11)-en-28-oate

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 559.0±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.4 mmHg at 25°C
    Enthalpy of Vaporization: 96.7±6.0 kJ/mol
    Flash Point: 170.8±23.6 °C
    Index of Refraction: 1.547
    Molar Refractivity: 138.5±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 1
    ACD/LogP: 7.27
    ACD/LogD (pH 5.5): 7.12
    ACD/BCF (pH 5.5): 150772.56
    ACD/KOC (pH 5.5): 177100.58
    ACD/LogD (pH 7.4): 7.12
    ACD/BCF (pH 7.4): 150772.56
    ACD/KOC (pH 7.4): 177100.58
    Polar Surface Area: 64 Å2
    Polarizability: 54.9±0.5 10-24cm3
    Surface Tension: 44.2±5.0 dyne/cm
    Molar Volume: 436.5±5.0 cm3

    Click to predict properties on the Chemicalize site


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