ChemSpider 2D Image | (3aS,3bS,5aR,9aS,9bR)-3b,6,6,9a-Tetramethyl-3a,3b,5a,6,8,9,9a,9b,10,11-decahydrophenanthro[1,2-b]furan-2,4,7(5H)-trione | C20H26O4

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

  • Molecular FormulaC20H26O4
  • Average mass330.418 Da
  • Monoisotopic mass330.183105 Da
  • ChemSpider ID29419712

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(3aS,3bS,5aR,9aS,9bR)-3b,6,6,9a-Tetramethyl-3a,3b,5a,6,8,9,9a,9b,10,11-decahydrophenanthro[1,2-b]furan-2,4,7(5H)-trion [German] [ACD/IUPAC Name]
(3aS,3bS,5aR,9aS,9bR)-3b,6,6,9a-Tetramethyl-3a,3b,5a,6,8,9,9a,9b,10,11-decahydrophenanthro[1,2-b]furan-2,4,7(5H)-trione [ACD/IUPAC Name]
(3aS,3bS,5aR,9aS,9bR)-3b,6,6,9a-Tétraméthyl-3a,3b,5a,6,8,9,9a,9b,10,11-décahydrophénanthro[1,2-b]furane-2,4,7(5H)-trione [French] [ACD/IUPAC Name]
Phenanthro[1,2-b]furan-2,4,7(5H)-trione, 3a,3b,5a,6,8,9,9a,9b,10,11-decahydro-3b,6,6,9a-tetramethyl-, (3aS,3bS,5aR,9aS,9bR)- [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: 508.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.9±3.0 kJ/mol
Flash Point: 223.9±30.2 °C
Index of Refraction: 1.553
Molar Refractivity: 88.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.63
ACD/LogD (pH 5.5): 2.30
ACD/BCF (pH 5.5): 33.12
ACD/KOC (pH 5.5): 426.30
ACD/LogD (pH 7.4): 2.30
ACD/BCF (pH 7.4): 33.12
ACD/KOC (pH 7.4): 426.30
Polar Surface Area: 60 Å2
Polarizability: 35.0±0.5 10-24cm3
Surface Tension: 45.5±5.0 dyne/cm
Molar Volume: 275.5±5.0 cm3

Click to predict properties on the Chemicalize site


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