ChemSpider 2D Image | (2E)-1-[(8S,9S,10R,13S,14S,17S)-3-Hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-3-phenyl-2-propen-1-one (non-preferred name) | C28H36O2

(2E)-1-[(8S,9S,10R,13S,14S,17S)-3-Hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-3-phenyl-2-propen-1-one (non-preferred name)

  • Molecular FormulaC28H36O2
  • Average mass404.584 Da
  • Monoisotopic mass404.271515 Da
  • ChemSpider ID58113259

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(2E)-1-[(8S,9S,10R,13S,14S,17S)-3-Hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-3-phenyl-2-propen-1-on (non-preferred name) [German] [ACD/IUPAC Name]
(2E)-1-[(8S,9S,10R,13S,14S,17S)-3-Hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-3-phenyl-2-propen-1-one (non-preferred name) [ACD/IUPAC Name]
(2E)-1-[(8S,9S,10R,13S,14S,17S)-3-Hydroxy-10,13-diméthyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tétradécahydro-1H-cyclopenta[a]phénanthrén-17-yl]-3-phényl-2-propén-1-one (non-preferred name) [French] [ACD/IUPAC 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: 562.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.9±3.0 kJ/mol
Flash Point: 236.0±22.7 °C
Index of Refraction: 1.594
Molar Refractivity: 121.6±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 6.85
ACD/LogD (pH 5.5): 6.13
ACD/BCF (pH 5.5): 26979.21
ACD/KOC (pH 5.5): 51679.16
ACD/LogD (pH 7.4): 6.13
ACD/BCF (pH 7.4): 26979.21
ACD/KOC (pH 7.4): 51679.16
Polar Surface Area: 37 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 48.0±5.0 dyne/cm
Molar Volume: 358.3±5.0 cm3

Click to predict properties on the Chemicalize site


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