ChemSpider 2D Image | 20-Oxo-11,20-epoxyabieta-8,11,13-trien-12-yl palmitate | C36H56O4

20-Oxo-11,20-epoxyabieta-8,11,13-trien-12-yl palmitate

  • Molecular FormulaC36H56O4
  • Average mass552.827 Da
  • Monoisotopic mass552.417847 Da
  • ChemSpider ID24672357

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

20-Oxo-11,20-epoxyabieta-8,11,13-trien-12-yl palmitate [ACD/IUPAC Name]
20-Oxo-11,20-epoxyabieta-8,11,13-trien-12-ylpalmitat [German] [ACD/IUPAC Name]
Hexadecanoic acid, (4aR,11aS)-1,3,4,10,11,11a-hexahydro-1,1-dimethyl-8-(1-methylethyl)-5-oxo-2H,5H-phenanthro[5,4a-bc]furan-7-yl ester [ACD/Index Name]
Palmitate de 20-oxo-11,20-époxyabiéta-8,11,13-trién-12-yle [French] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 615.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.3±3.0 kJ/mol
Flash Point: 296.4±29.9 °C
Index of Refraction: 1.531
Molar Refractivity: 163.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 12.66
ACD/LogD (pH 5.5): 12.06
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.06
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 53 Å2
Polarizability: 64.7±0.5 10-24cm3
Surface Tension: 43.0±5.0 dyne/cm
Molar Volume: 527.1±5.0 cm3

Click to predict properties on the Chemicalize site


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