ChemSpider 2D Image | (3aS,3bS,5aR,7S,9aS,9bR)-7-Hydroxy-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 | C20H28O4

(3aS,3bS,5aR,7S,9aS,9bR)-7-Hydroxy-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 FormulaC20H28O4
  • Average mass332.434 Da
  • Monoisotopic mass332.198761 Da
  • ChemSpider ID28637713

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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(3aS,3bS,5aR,7S,9aS,9bR)-7-Hydroxy-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,5aR,7S,9aS,9bR)-7-Hydroxy-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,5aR,7S,9aS,9bR)-7-Hydroxy-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-7-hydroxy-3b,6,6,9a-tetramethyl-, (3aS,3bS,5aR,7S,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: 509.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 89.8±6.0 kJ/mol
Flash Point: 179.7±23.6 °C
Index of Refraction: 1.561
Molar Refractivity: 89.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.08
ACD/LogD (pH 5.5): 2.47
ACD/BCF (pH 5.5): 44.25
ACD/KOC (pH 5.5): 524.50
ACD/LogD (pH 7.4): 2.47
ACD/BCF (pH 7.4): 44.25
ACD/KOC (pH 7.4): 524.50
Polar Surface Area: 64 Å2
Polarizability: 35.5±0.5 10-24cm3
Surface Tension: 47.3±5.0 dyne/cm
Molar Volume: 276.6±5.0 cm3

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