ChemSpider 2D Image | (3aS,3bS,5aS,9aS,9bR)-3b,6,6,9a-Tetramethyl-3a,3b,5,5a,6,7,8,9,9a,9b,10,11-dodecahydrophenanthro[1,2-b]furan-2,4-dione | C20H28O3

(3aS,3bS,5aS,9aS,9bR)-3b,6,6,9a-Tetramethyl-3a,3b,5,5a,6,7,8,9,9a,9b,10,11-dodecahydrophenanthro[1,2-b]furan-2,4-dione

  • Molecular FormulaC20H28O3
  • Average mass316.435 Da
  • Monoisotopic mass316.203857 Da
  • ChemSpider ID29414194

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(3aS,3bS,5aS,9aS,9bR)-3b,6,6,9a-Tetramethyl-3a,3b,5,5a,6,7,8,9,9a,9b,10,11-dodecahydrophenanthro[1,2-b]furan-2,4-dion [German] [ACD/IUPAC Name]
(3aS,3bS,5aS,9aS,9bR)-3b,6,6,9a-Tetramethyl-3a,3b,5,5a,6,7,8,9,9a,9b,10,11-dodecahydrophenanthro[1,2-b]furan-2,4-dione [ACD/IUPAC Name]
(3aS,3bS,5aS,9aS,9bR)-3b,6,6,9a-Tétraméthyl-3a,3b,5,5a,6,7,8,9,9a,9b,10,11-dodécahydrophénanthro[1,2-b]furane-2,4-dione [French] [ACD/IUPAC Name]
Phenanthro[1,2-b]furan-2,4-dione, 3a,3b,5,5a,6,7,8,9,9a,9b,10,11-dodecahydro-3b,6,6,9a-tetramethyl-, (3aS,3bS,5aS,9aS,9bR)- [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: 467.0±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 72.9±3.0 kJ/mol
Flash Point: 204.7±25.4 °C
Index of Refraction: 1.545
Molar Refractivity: 88.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.96
ACD/LogD (pH 5.5): 3.84
ACD/BCF (pH 5.5): 485.82
ACD/KOC (pH 5.5): 2914.64
ACD/LogD (pH 7.4): 3.84
ACD/BCF (pH 7.4): 485.82
ACD/KOC (pH 7.4): 2914.64
Polar Surface Area: 43 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 42.3±5.0 dyne/cm
Molar Volume: 278.6±5.0 cm3

Click to predict properties on the Chemicalize site


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