ChemSpider 2D Image | (3bR,5aR,7S,9aS,9bR)-3b,6,6,9a-Tetramethyl-3b,4,5,5a,6,7,8,9,9a,9b,10,11-dodecahydrophenanthro[1,2-b]furan-7-ol | C20H30O2

(3bR,5aR,7S,9aS,9bR)-3b,6,6,9a-Tetramethyl-3b,4,5,5a,6,7,8,9,9a,9b,10,11-dodecahydrophenanthro[1,2-b]furan-7-ol

  • Molecular FormulaC20H30O2
  • Average mass302.451 Da
  • Monoisotopic mass302.224579 Da
  • ChemSpider ID64185951

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(3bR,5aR,7S,9aS,9bR)-3b,6,6,9a-Tetramethyl-3b,4,5,5a,6,7,8,9,9a,9b,10,11-dodecahydrophenanthro[1,2-b]furan-7-ol [German] [ACD/IUPAC Name]
(3bR,5aR,7S,9aS,9bR)-3b,6,6,9a-Tetramethyl-3b,4,5,5a,6,7,8,9,9a,9b,10,11-dodecahydrophenanthro[1,2-b]furan-7-ol [ACD/IUPAC Name]
(3bR,5aR,7S,9aS,9bR)-3b,6,6,9a-Tétraméthyl-3b,4,5,5a,6,7,8,9,9a,9b,10,11-dodécahydrophénanthro[1,2-b]furan-7-ol [French] [ACD/IUPAC Name]
Phenanthro[1,2-b]furan-7-ol, 3b,4,5,5a,6,7,8,9,9a,9b,10,11-dodecahydro-3b,6,6,9a-tetramethyl-, (3bR,5aR,7S,9aS,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: 390.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 67.6±3.0 kJ/mol
Flash Point: 190.2±27.9 °C
Index of Refraction: 1.527
Molar Refractivity: 88.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 6.11
ACD/LogD (pH 5.5): 5.54
ACD/BCF (pH 5.5): 9618.56
ACD/KOC (pH 5.5): 24700.16
ACD/LogD (pH 7.4): 5.54
ACD/BCF (pH 7.4): 9618.56
ACD/KOC (pH 7.4): 24700.16
Polar Surface Area: 33 Å2
Polarizability: 35.1±0.5 10-24cm3
Surface Tension: 39.1±3.0 dyne/cm
Molar Volume: 287.9±3.0 cm3

Click to predict properties on the Chemicalize site


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