ChemSpider 2D Image | (1alpha,7alpha)-1,11-Epoxyabieta-8(14),9(11),12-triene-7,18-diol | C20H28O3

(1α,7α)-1,11-Epoxyabieta-8(14),9(11),12-triene-7,18-diol

  • Molecular FormulaC20H28O3
  • Average mass316.435 Da
  • Monoisotopic mass316.203857 Da
  • ChemSpider ID28637716

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(1α,7α)-1,11-Epoxyabieta-8(14),9(11),12-trien-7,18-diol [German] [ACD/IUPAC Name]
(1α,7α)-1,11-Epoxyabieta-8(14),9(11),12-triene-7,18-diol [ACD/IUPAC Name]
(1α,7α)-1,11-Époxyabiéta-8(14),9(11),12-triène-7,18-diol [French] [ACD/IUPAC Name]
Phenanthro[4,5-bcd]furan-1-methanol, 1,2,3,3a,8,9,9a,9b-octahydro-8-hydroxy-1,9b-dimethyl-6-(1-methylethyl)-, (1R,3aS,8R,9aS,9bS)- [ACD/Index 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: 452.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.0±3.0 kJ/mol
Flash Point: 227.4±28.7 °C
Index of Refraction: 1.574
Molar Refractivity: 90.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.22
ACD/LogD (pH 5.5): 3.45
ACD/BCF (pH 5.5): 247.82
ACD/KOC (pH 5.5): 1800.25
ACD/LogD (pH 7.4): 3.45
ACD/BCF (pH 7.4): 247.82
ACD/KOC (pH 7.4): 1800.25
Polar Surface Area: 50 Å2
Polarizability: 35.9±0.5 10-24cm3
Surface Tension: 48.4±3.0 dyne/cm
Molar Volume: 274.3±3.0 cm3

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