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-yl acetate | C22H32O3

(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-yl acetate

  • Molecular FormulaC22H32O3
  • Average mass344.488 Da
  • Monoisotopic mass344.235138 Da
  • ChemSpider ID64185952

  • 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-yl acetate [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-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (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-yle [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-, acetate, (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: 405.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.7±3.0 kJ/mol
Flash Point: 199.1±28.7 °C
Index of Refraction: 1.534
Molar Refractivity: 98.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 7.00
ACD/LogD (pH 5.5): 6.51
ACD/BCF (pH 5.5): 52121.13
ACD/KOC (pH 5.5): 82798.08
ACD/LogD (pH 7.4): 6.51
ACD/BCF (pH 7.4): 52121.13
ACD/KOC (pH 7.4): 82798.08
Polar Surface Area: 39 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 40.7±5.0 dyne/cm
Molar Volume: 315.9±5.0 cm3

Click to predict properties on the Chemicalize site


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