ChemSpider 2D Image | (8S,9R,13R,14R,17S)-13-Ethyl-17-ethynyl-3-methoxy-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-ol (non-preferred name) | C22H28O2

(8S,9R,13R,14R,17S)-13-Ethyl-17-ethynyl-3-methoxy-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-ol (non-preferred name)

  • Molecular FormulaC22H28O2
  • Average mass324.457 Da
  • Monoisotopic mass324.208923 Da
  • ChemSpider ID78220129

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(8S,9R,13R,14R,17S)-13-Ethyl-17-ethynyl-3-methoxy-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-ol (non-preferred name) [ACD/IUPAC Name]
(8S,9R,13R,14R,17S)-13-Éthyl-17-éthynyl-3-méthoxy-7,8,9,11,12,13,14,15,16,17-décahydro-6H-cyclopenta[a]phénanthrén-17-ol (non-preferred name) [French] [ACD/IUPAC Name]
(8S,9R,13R,14R,17S)-17-Ethinyl-13-ethyl-3-methoxy-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-ol (non-preferred name) [German] [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: 455.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.3±3.0 kJ/mol
Flash Point: 195.1±23.0 °C
Index of Refraction: 1.585
Molar Refractivity: 95.7±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.70
ACD/LogD (pH 5.5): 4.68
ACD/BCF (pH 5.5): 2127.44
ACD/KOC (pH 5.5): 8388.35
ACD/LogD (pH 7.4): 4.68
ACD/BCF (pH 7.4): 2127.43
ACD/KOC (pH 7.4): 8388.33
Polar Surface Area: 29 Å2
Polarizability: 38.0±0.5 10-24cm3
Surface Tension: 49.1±5.0 dyne/cm
Molar Volume: 285.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement