ChemSpider 2D Image | (3bR,5aR,6S,9aR,9bR)-8-Hydroxy-6-(hydroxymethyl)-3b,6,9a-trimethyl-4,5,5a,6,9a,9b,10,11-octahydrophenanthro[1,2-c]furan-7(3bH)-one | C20H26O4

(3bR,5aR,6S,9aR,9bR)-8-Hydroxy-6-(hydroxymethyl)-3b,6,9a-trimethyl-4,5,5a,6,9a,9b,10,11-octahydrophenanthro[1,2-c]furan-7(3bH)-one

  • Molecular FormulaC20H26O4
  • Average mass330.418 Da
  • Monoisotopic mass330.183105 Da
  • ChemSpider ID35516882

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(3bR,5aR,6S,9aR,9bR)-8-Hydroxy-6-(hydroxymethyl)-3b,6,9a-trimethyl-4,5,5a,6,9a,9b,10,11-octahydrophenanthro[1,2-c]furan-7(3bH)-on [German] [ACD/IUPAC Name]
(3bR,5aR,6S,9aR,9bR)-8-Hydroxy-6-(hydroxymethyl)-3b,6,9a-trimethyl-4,5,5a,6,9a,9b,10,11-octahydrophenanthro[1,2-c]furan-7(3bH)-one [ACD/IUPAC Name]
(3bR,5aR,6S,9aR,9bR)-8-Hydroxy-6-(hydroxyméthyl)-3b,6,9a-triméthyl-4,5,5a,6,9a,9b,10,11-octahydrophénanthro[1,2-c]furan-7(3bH)-one [French] [ACD/IUPAC Name]
Phenanthro[1,2-c]furan-7(3bH)-one, 4,5,5a,6,9a,9b,10,11-octahydro-8-hydroxy-6-(hydroxymethyl)-3b,6,9a-trimethyl-, (3bR,5aR,6S,9aR,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: 488.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.5±3.0 kJ/mol
Flash Point: 249.5±28.7 °C
Index of Refraction: 1.568
Molar Refractivity: 89.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.53
ACD/LogD (pH 5.5): 3.33
ACD/BCF (pH 5.5): 199.29
ACD/KOC (pH 5.5): 1540.01
ACD/LogD (pH 7.4): 3.31
ACD/BCF (pH 7.4): 192.48
ACD/KOC (pH 7.4): 1487.41
Polar Surface Area: 71 Å2
Polarizability: 35.6±0.5 10-24cm3
Surface Tension: 46.9±3.0 dyne/cm
Molar Volume: 274.3±3.0 cm3

Click to predict properties on the Chemicalize site


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