ChemSpider 2D Image | (6beta,7alpha)-11,14-Dioxoabieta-8,12-diene-6,7,12-triyl triacetate | C26H34O8

(6β,7α)-11,14-Dioxoabieta-8,12-diene-6,7,12-triyl triacetate

  • Molecular FormulaC26H34O8
  • Average mass474.543 Da
  • Monoisotopic mass474.225372 Da
  • ChemSpider ID24783941

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(6β,7α)-11,14-Dioxoabieta-8,12-dien-6,7,12-triyl-triacetat [German] [ACD/IUPAC Name]
(6β,7α)-11,14-Dioxoabieta-8,12-diene-6,7,12-triyl triacetate [ACD/IUPAC Name]
1,4-Phenanthrenedione, 3,9,10-tris(acetyloxy)-4b,5,6,7,8,8a,9,10-octahydro-4b,8,8-trimethyl-2-(1-methylethyl)-, (4bS,8aS,9S,10S)- [ACD/Index Name]
Triacétate de (6β,7α)-11,14-dioxoabiéta-8,12-diène-6,7,12-triyle [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 546.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.6±3.0 kJ/mol
Flash Point: 231.5±30.2 °C
Index of Refraction: 1.533
Molar Refractivity: 120.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.43
ACD/LogD (pH 5.5): 5.65
ACD/BCF (pH 5.5): 11539.29
ACD/KOC (pH 5.5): 28138.21
ACD/LogD (pH 7.4): 5.65
ACD/BCF (pH 7.4): 11539.29
ACD/KOC (pH 7.4): 28138.21
Polar Surface Area: 113 Å2
Polarizability: 47.9±0.5 10-24cm3
Surface Tension: 45.8±5.0 dyne/cm
Molar Volume: 389.9±5.0 cm3

Click to predict properties on the Chemicalize site


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