ChemSpider 2D Image | (8R,9S,11S,13S,14S,17R)-11-[4-(Dimethylamino)phenyl]-13-methyl-3'-methylene-1,4',5',6,7,8,9,10,11,12,13,14,15,16-tetradecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-3(2H)-one | C30H39NO2

(8R,9S,11S,13S,14S,17R)-11-[4-(Dimethylamino)phenyl]-13-methyl-3'-methylene-1,4',5',6,7,8,9,10,11,12,13,14,15,16-tetradecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-3(2H)-one

  • Molecular FormulaC30H39NO2
  • Average mass445.636 Da
  • Monoisotopic mass445.298065 Da
  • ChemSpider ID28942439

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(8R,9S,11S,13S,14S,17R)-11-[4-(Dimethylamino)phenyl]-13-methyl-3'-methylene-1,4',5',6,7,8,9,10,11,12,13,14,15,16-tetradecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-3(2H)-one [ACD/IUPAC Name]
Spiro[17H-cyclopenta[a]phenanthrene-17,2'(3'H)-furan]-3(2H)-one, 11-[4-(dimethylamino)phenyl]-1,4',5',6,7,8,9,10,11,12,13,14,15,16-tetradecahydro-13-methyl-3'-methylene-, (8R,9S,11S,13S,14S,17R)- [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: 605.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.1±3.0 kJ/mol
Flash Point: 320.3±31.5 °C
Index of Refraction: 1.599
Molar Refractivity: 132.5±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.81
ACD/LogD (pH 5.5): 4.85
ACD/BCF (pH 5.5): 2401.27
ACD/KOC (pH 5.5): 7503.02
ACD/LogD (pH 7.4): 5.14
ACD/BCF (pH 7.4): 4762.30
ACD/KOC (pH 7.4): 14880.32
Polar Surface Area: 30 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 47.6±5.0 dyne/cm
Molar Volume: 388.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement