ChemSpider 2D Image | (3bR,5aR,8S,9aR,9bR)-8-Hydroxy-3b,6,6,9a-tetramethyl-4,5,5a,6,8,9,9a,9b,10,11-decahydrophenanthro[1,2-c]furan-7(3bH)-one | C20H28O3

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

  • Molecular FormulaC20H28O3
  • Average mass316.435 Da
  • Monoisotopic mass316.203857 Da
  • ChemSpider ID35516884

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(3bR,5aR,8S,9aR,9bR)-8-Hydroxy-3b,6,6,9a-tetramethyl-4,5,5a,6,8,9,9a,9b,10,11-decahydrophenanthro[1,2-c]furan-7(3bH)-on [German] [ACD/IUPAC Name]
(3bR,5aR,8S,9aR,9bR)-8-Hydroxy-3b,6,6,9a-tetramethyl-4,5,5a,6,8,9,9a,9b,10,11-decahydrophenanthro[1,2-c]furan-7(3bH)-one [ACD/IUPAC Name]
(3bR,5aR,8S,9aR,9bR)-8-Hydroxy-3b,6,6,9a-tétraméthyl-4,5,5a,6,8,9,9a,9b,10,11-décahydrophénanthro[1,2-c]furan-7(3bH)-one [French] [ACD/IUPAC Name]
Phenanthro[1,2-c]furan-7(3bH)-one, 4,5,5a,6,8,9,9a,9b,10,11-decahydro-8-hydroxy-3b,6,6,9a-tetramethyl-, (3bR,5aR,8S,9aR,9bR)- [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: 428.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.0±3.0 kJ/mol
Flash Point: 212.7±28.7 °C
Index of Refraction: 1.535
Molar Refractivity: 88.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.16
ACD/LogD (pH 5.5): 4.09
ACD/BCF (pH 5.5): 755.33
ACD/KOC (pH 5.5): 3997.33
ACD/LogD (pH 7.4): 4.09
ACD/BCF (pH 7.4): 755.33
ACD/KOC (pH 7.4): 3997.32
Polar Surface Area: 50 Å2
Polarizability: 35.1±0.5 10-24cm3
Surface Tension: 39.9±3.0 dyne/cm
Molar Volume: 284.4±3.0 cm3

Click to predict properties on the Chemicalize site


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