ChemSpider 2D Image | (3aR,3bS,4R,5aS,9aS,9bR,10R,11aR)-3b,6,6,9a-Tetramethyl-1-oxo-10-(propionyloxy)hexadecahydrophenanthro[1,2-c]furan-4-yl 3-methylbutanoate | C28H44O6

(3aR,3bS,4R,5aS,9aS,9bR,10R,11aR)-3b,6,6,9a-Tetramethyl-1-oxo-10-(propionyloxy)hexadecahydrophenanthro[1,2-c]furan-4-yl 3-methylbutanoate

  • Molecular FormulaC28H44O6
  • Average mass476.645 Da
  • Monoisotopic mass476.313782 Da
  • ChemSpider ID61708424

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3aR,3bS,4R,5aS,9aS,9bR,10R,11aR)-3b,6,6,9a-Tetramethyl-1-oxo-10-(propionyloxy)hexadecahydrophenanthro[1,2-c]furan-4-yl 3-methylbutanoate [ACD/IUPAC Name]
(3aR,3bS,4R,5aS,9aS,9bR,10R,11aR)-3b,6,6,9a-Tetramethyl-1-oxo-10-(propionyloxy)hexadecahydrophenanthro[1,2-c]furan-4-yl-3-methylbutanoat [German] [ACD/IUPAC Name]
3-Méthylbutanoate de (3aR,3bS,4R,5aS,9aS,9bR,10R,11aR)-3b,6,6,9a-tétraméthyl-1-oxo-10-(propionyloxy)hexadécahydrophénanthro[1,2-c]furan-4-yle [French] [ACD/IUPAC Name]
Butanoic acid, 3-methyl-, (3aR,3bS,4R,5aS,9aS,9bR,10R,11aR)-hexadecahydro-3b,6,6,9a-tetramethyl-1-oxo-10-(1-oxopropoxy)phenanthro[1,2-c]furan-4-yl ester [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: 548.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.8±3.0 kJ/mol
Flash Point: 230.3±30.2 °C
Index of Refraction: 1.518
Molar Refractivity: 129.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.32
ACD/LogD (pH 5.5): 5.88
ACD/BCF (pH 5.5): 17302.76
ACD/KOC (pH 5.5): 37603.66
ACD/LogD (pH 7.4): 5.88
ACD/BCF (pH 7.4): 17302.76
ACD/KOC (pH 7.4): 37603.66
Polar Surface Area: 79 Å2
Polarizability: 51.1±0.5 10-24cm3
Surface Tension: 42.1±5.0 dyne/cm
Molar Volume: 425.9±5.0 cm3

Click to predict properties on the Chemicalize site


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