ChemSpider 2D Image | (4S,4aR,6aS,7R,11aS,11bR)-4,7,11b-Trimethyl-1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodecahydrophenanthro[3,2-b]furan-4-yl acetate | C21H30O3

(4S,4aR,6aS,7R,11aS,11bR)-4,7,11b-Trimethyl-1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodecahydrophenanthro[3,2-b]furan-4-yl acetate

  • Molecular FormulaC21H30O3
  • Average mass330.461 Da
  • Monoisotopic mass330.219482 Da
  • ChemSpider ID30813257

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(4S,4aR,6aS,7R,11aS,11bR)-4,7,11b-Trimethyl-1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodecahydrophenanthro[3,2-b]furan-4-yl acetate [ACD/IUPAC Name]
(4S,4aR,6aS,7R,11aS,11bR)-4,7,11b-Trimethyl-1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodecahydrophenanthro[3,2-b]furan-4-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (4S,4aR,6aS,7R,11aS,11bR)-4,7,11b-triméthyl-1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodécahydrophénanthro[3,2-b]furan-4-yle [French] [ACD/IUPAC Name]
Phenanthro[3,2-b]furan-4-ol, 1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodecahydro-4,7,11b-trimethyl-, acetate, (4S,4aR,6aS,7R,11aS,11bR)- [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: 405.5±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: 199.0±28.7 °C
Index of Refraction: 1.537
Molar Refractivity: 93.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 6.52
ACD/LogD (pH 5.5): 6.32
ACD/BCF (pH 5.5): 37646.83
ACD/KOC (pH 5.5): 65597.88
ACD/LogD (pH 7.4): 6.32
ACD/BCF (pH 7.4): 37646.83
ACD/KOC (pH 7.4): 65597.88
Polar Surface Area: 39 Å2
Polarizability: 37.1±0.5 10-24cm3
Surface Tension: 41.2±5.0 dyne/cm
Molar Volume: 299.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement