ChemSpider 2D Image | 11-Hydroxy-12-methoxyabieta-8,11,13-triene-3,7-dione | C21H28O4

11-Hydroxy-12-methoxyabieta-8,11,13-triene-3,7-dione

  • Molecular FormulaC21H28O4
  • Average mass344.445 Da
  • Monoisotopic mass344.198761 Da
  • ChemSpider ID31112803

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

11-Hydroxy-12-methoxyabieta-8,11,13-trien-3,7-dion [German] [ACD/IUPAC Name]
11-Hydroxy-12-methoxyabieta-8,11,13-triene-3,7-dione [ACD/IUPAC Name]
11-Hydroxy-12-méthoxyabiéta-8,11,13-triène-3,7-dione [French] [ACD/IUPAC Name]
2,9(1H,3H)-Phenanthrenedione, 4,4a,10,10a-tetrahydro-5-hydroxy-6-methoxy-1,1,4a-trimethyl-7-(1-methylethyl)-, (4aS,10aR)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 507.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.7±3.0 kJ/mol
Flash Point: 175.2±23.6 °C
Index of Refraction: 1.541
Molar Refractivity: 96.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.58
ACD/LogD (pH 5.5): 4.41
ACD/BCF (pH 5.5): 1330.31
ACD/KOC (pH 5.5): 5993.75
ACD/LogD (pH 7.4): 4.41
ACD/BCF (pH 7.4): 1308.85
ACD/KOC (pH 7.4): 5897.06
Polar Surface Area: 64 Å2
Polarizability: 38.2±0.5 10-24cm3
Surface Tension: 40.6±3.0 dyne/cm
Molar Volume: 306.9±3.0 cm3

Click to predict properties on the Chemicalize site


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