ChemSpider 2D Image | Ethyl (5xi,9xi)-abieta-7,13-dien-18-oate | C22H34O2

Ethyl (5ξ,9ξ)-abieta-7,13-dien-18-oate

  • Molecular FormulaC22H34O2
  • Average mass330.504 Da
  • Monoisotopic mass330.255890 Da
  • ChemSpider ID24589530

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(5ξ,9ξ)-Abiéta-7,13-dién-18-oate d'éthyle [French] [ACD/IUPAC Name]
1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, ethyl ester, (1R,4aR)- [ACD/Index Name]
Ethyl (5ξ,9ξ)-abieta-7,13-dien-18-oate [ACD/IUPAC Name]
Ethyl-(5ξ,9ξ)-abieta-7,13-dien-18-oat [German] [ACD/IUPAC Name]
(1R,4aR,4bR,10aR)-Ethyl 7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylate
631-71-0 [RN]
ethyl (1R,4aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate
Ethyl Abietate
ethylabietate
MFCD00028860

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 417.9±44.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 67.1±3.0 kJ/mol
    Flash Point: 201.6±16.0 °C
    Index of Refraction: 1.520
    Molar Refractivity: 99.0±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 1
    ACD/LogP: 7.47
    ACD/LogD (pH 5.5): 6.98
    ACD/BCF (pH 5.5): 118183.27
    ACD/KOC (pH 5.5): 148769.52
    ACD/LogD (pH 7.4): 6.98
    ACD/BCF (pH 7.4): 118183.27
    ACD/KOC (pH 7.4): 148769.52
    Polar Surface Area: 26 Å2
    Polarizability: 39.2±0.5 10-24cm3
    Surface Tension: 36.9±5.0 dyne/cm
    Molar Volume: 325.7±5.0 cm3

    Click to predict properties on the Chemicalize site


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