ChemSpider 2D Image | Methyl (2Z,5xi,18alpha)-2-(hydroxymethylene)-3,12-dioxoolean-9(11)-en-28-oate | C32H46O5

Methyl (2Z,5ξ,18α)-2-(hydroxymethylene)-3,12-dioxoolean-9(11)-en-28-oate

  • Molecular FormulaC32H46O5
  • Average mass510.705 Da
  • Monoisotopic mass510.334534 Da
  • ChemSpider ID29211958

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(2Z,5ξ,18α)-2-(Hydroxyméthylène)-3,12-dioxooléan-9(11)-én-28-oate de méthyle [French] [ACD/IUPAC Name]
Methyl (2Z,5ξ,18α)-2-(hydroxymethylene)-3,12-dioxoolean-9(11)-en-28-oate [ACD/IUPAC Name]
Methyl-(2Z,5ξ,18α)-2-(hydroxymethylen)-3,12-dioxoolean-9(11)-en-28-oat [German] [ACD/IUPAC Name]
Olean-9(11)-en-28-oic acid, 2-(hydroxymethylene)-3,12-dioxo-, methyl ester, (2Z,5ξ,18α)- [ACD/Index Name]
(4aS,6aR,6bS,12aS,14aR,14bR,Z)-methyl 11-(hydroxymethylene)-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4a-carboxylate
305818-39-7 [RN]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 599.8±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.9 mmHg at 25°C
    Enthalpy of Vaporization: 102.4±6.0 kJ/mol
    Flash Point: 185.0±23.6 °C
    Index of Refraction: 1.560
    Molar Refractivity: 143.0±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 2
    ACD/LogP: 6.85
    ACD/LogD (pH 5.5): 5.68
    ACD/BCF (pH 5.5): 6923.43
    ACD/KOC (pH 5.5): 9883.44
    ACD/LogD (pH 7.4): 3.92
    ACD/BCF (pH 7.4): 119.43
    ACD/KOC (pH 7.4): 170.49
    Polar Surface Area: 81 Å2
    Polarizability: 56.7±0.5 10-24cm3
    Surface Tension: 46.9±5.0 dyne/cm
    Molar Volume: 441.9±5.0 cm3

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