ChemSpider 2D Image | 8-[3-(2,3-Dimethylbutanoyl)-2-methylcyclopentyl]-3,6-dihydroxy-8,10b-dimethyl-1,3,4,6,8,9,10,10b-octahydro-2H-phenanthro[8a,9-b]oxiren-7(5aH)-one | C28H42O5

8-[3-(2,3-Dimethylbutanoyl)-2-methylcyclopentyl]-3,6-dihydroxy-8,10b-dimethyl-1,3,4,6,8,9,10,10b-octahydro-2H-phenanthro[8a,9-b]oxiren-7(5aH)-one

  • Molecular FormulaC28H42O5
  • Average mass458.630 Da
  • Monoisotopic mass458.303223 Da
  • ChemSpider ID78444088

More details:

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

2H-Phenanthro[8a,9-b]oxiren-7(5aH)-one, 8-[3-(2,3-dimethyl-1-oxobutyl)-2-methylcyclopentyl]-1,3,4,6,8,9,10,10b-octahydro-3,6-dihydroxy-8,10b-dimethyl- [ACD/Index Name]
8-[3-(2,3-Dimethylbutanoyl)-2-methylcyclopentyl]-3,6-dihydroxy-8,10b-dimethyl-1,3,4,6,8,9,10,10b-octahydro-2H-phenanthro[8a,9-b]oxiren-7(5aH)-on [German] [ACD/IUPAC Name]
8-[3-(2,3-Dimethylbutanoyl)-2-methylcyclopentyl]-3,6-dihydroxy-8,10b-dimethyl-1,3,4,6,8,9,10,10b-octahydro-2H-phenanthro[8a,9-b]oxiren-7(5aH)-one [ACD/IUPAC Name]
8-[3-(2,3-Diméthylbutanoyl)-2-méthylcyclopentyl]-3,6-dihydroxy-8,10b-diméthyl-1,3,4,6,8,9,10,10b-octahydro-2H-phénanthro[8a,9-b]oxirén-7(5aH)-one [French] [ACD/IUPAC Name]
Strophasterol C

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 623.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 105.9±6.0 kJ/mol
Flash Point: 203.1±25.0 °C
Index of Refraction: 1.565
Molar Refractivity: 125.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.81
ACD/LogD (pH 5.5): 3.97
ACD/BCF (pH 5.5): 609.28
ACD/KOC (pH 5.5): 3427.46
ACD/LogD (pH 7.4): 3.97
ACD/BCF (pH 7.4): 609.27
ACD/KOC (pH 7.4): 3427.43
Polar Surface Area: 87 Å2
Polarizability: 49.9±0.5 10-24cm3
Surface Tension: 48.8±5.0 dyne/cm
Molar Volume: 386.5±5.0 cm3

Click to predict properties on the Chemicalize site


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