ChemSpider 2D Image | (18xi)-3,11-Dioxooleana-1,12-dien-28-al | C30H42O3

(18ξ)-3,11-Dioxooleana-1,12-dien-28-al

  • Molecular FormulaC30H42O3
  • Average mass450.653 Da
  • Monoisotopic mass450.313385 Da
  • ChemSpider ID23212770

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(18ξ)-3,11-Dioxooleana-1,12-dien-28-al [ACD/IUPAC Name]
(18ξ)-3,11-Dioxooleana-1,12-dien-28-al [German] [ACD/IUPAC Name]
(18ξ)-3,11-Dioxooléana-1,12-dién-28-al [French] [ACD/IUPAC Name]
Oleana-1,12-dien-28-al, 3,11-dioxo-, (18ξ)- [ACD/Index Name]
2,2,6a,6b,9,9,12a-Heptamethyl-10,13-dioxo-1,3,4,5,6,6a,6b,7,8,8a,9,10,12a,12b,13,14b-hexadecahydro-2H-picene-4a-carbaldehyde

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

Density: 1.1±0.1 g/cm3
Boiling Point: 554.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.5±3.0 kJ/mol
Flash Point: 231.5±25.3 °C
Index of Refraction: 1.557
Molar Refractivity: 130.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 6.46
ACD/LogD (pH 5.5): 6.47
ACD/BCF (pH 5.5): 48702.42
ACD/KOC (pH 5.5): 78873.51
ACD/LogD (pH 7.4): 6.47
ACD/BCF (pH 7.4): 48702.42
ACD/KOC (pH 7.4): 78873.51
Polar Surface Area: 51 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 43.8±5.0 dyne/cm
Molar Volume: 406.9±5.0 cm3

Click to predict properties on the Chemicalize site


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