ChemSpider 2D Image | libertellenone F | C20H26O4

libertellenone F

  • Molecular FormulaC20H26O4
  • Average mass330.418 Da
  • Monoisotopic mass330.183105 Da
  • ChemSpider ID26628244
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

(1β,13α)-1,9-Dihydroxy-6,19-epoxypimara-5,8(14),15-trien-7-on [German] [ACD/IUPAC Name]
(1β,13α)-1,9-Dihydroxy-6,19-epoxypimara-5,8(14),15-trien-7-one [ACD/IUPAC Name]
(1β,13α)-1,9-Dihydroxy-6,19-époxypimara-5,8(14),15-trién-7-one [French] [ACD/IUPAC Name]
6H-Phenanthro[10,1-bc]furan-6-one, 8-ethenyl-1,2,3,3a,4,8,9,10,10a,10b-decahydro-1,10a-dihydroxy-3a,8,10b-trimethyl-, (1R,3aR,8R,10aS,10bR)- [ACD/Index Name]
libertellenone F

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 516.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 90.7±6.0 kJ/mol
Flash Point: 183.5±23.6 °C
Index of Refraction: 1.600
Molar Refractivity: 90.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.27
ACD/LogD (pH 5.5): 3.50
ACD/BCF (pH 5.5): 269.15
ACD/KOC (pH 5.5): 1909.83
ACD/LogD (pH 7.4): 3.50
ACD/BCF (pH 7.4): 269.15
ACD/KOC (pH 7.4): 1909.82
Polar Surface Area: 67 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 52.1±5.0 dyne/cm
Molar Volume: 263.9±5.0 cm3

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