ChemSpider 2D Image | (3beta)-11,29-Dioxo-18,29-epoxyolean-12-en-3-yl acetate | C32H46O5

(3β)-11,29-Dioxo-18,29-epoxyolean-12-en-3-yl acetate

  • Molecular FormulaC32H46O5
  • Average mass510.705 Da
  • Monoisotopic mass510.334534 Da
  • ChemSpider ID29214107

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3β)-11,29-Dioxo-18,29-epoxyolean-12-en-3-yl acetate [ACD/IUPAC Name]
(3β)-11,29-Dioxo-18,29-epoxyolean-12-en-3-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (3β)-11,29-dioxo-18,29-époxyoléan-12-én-3-yle [French] [ACD/IUPAC Name]
Olean-12-ene-11,29-dione, 3-(acetyloxy)-18,29-epoxy-, (3β)- [ACD/Index Name]
echinolactone A

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

Density: 1.2±0.1 g/cm3
Boiling Point: 603.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.8±3.0 kJ/mol
Flash Point: 252.2±31.5 °C
Index of Refraction: 1.558
Molar Refractivity: 141.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 6.27
ACD/LogD (pH 5.5): 6.27
ACD/BCF (pH 5.5): 34174.89
ACD/KOC (pH 5.5): 61208.45
ACD/LogD (pH 7.4): 6.27
ACD/BCF (pH 7.4): 34174.89
ACD/KOC (pH 7.4): 61208.45
Polar Surface Area: 70 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 45.9±5.0 dyne/cm
Molar Volume: 439.1±5.0 cm3

Click to predict properties on the Chemicalize site


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