ChemSpider 2D Image | (8S,9R,10R,13S,14R,17S)-13-Ethyl-17-ethynyl-11-methylene-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-ol (non-preferred name) | C22H30O

(8S,9R,10R,13S,14R,17S)-13-Ethyl-17-ethynyl-11-methylene-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-ol (non-preferred name)

  • Molecular FormulaC22H30O
  • Average mass310.473 Da
  • Monoisotopic mass310.229675 Da
  • ChemSpider ID96316893

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(8S,9R,10R,13S,14R,17S)-13-Ethyl-17-ethynyl-11-methylene-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-ol (non-preferred name) [ACD/IUPAC Name]
(8S,9R,10R,13S,14R,17S)-13-Éthyl-17-éthynyl-11-méthylène-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tétradécahydro-1H-cyclopenta[a]phénanthrén-17-ol (non-preferred name) [French] [ACD/IUPAC Name]
(8S,9R,10R,13S,14R,17S)-17-Ethinyl-13-ethyl-11-methylen-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-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: 428.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 78.9±6.0 kJ/mol
Flash Point: 187.9±21.7 °C
Index of Refraction: 1.566
Molar Refractivity: 94.2±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 6.59
ACD/LogD (pH 5.5): 5.92
ACD/BCF (pH 5.5): 18662.50
ACD/KOC (pH 5.5): 39696.00
ACD/LogD (pH 7.4): 5.92
ACD/BCF (pH 7.4): 18662.46
ACD/KOC (pH 7.4): 39695.91
Polar Surface Area: 20 Å2
Polarizability: 37.4±0.5 10-24cm3
Surface Tension: 44.0±5.0 dyne/cm
Molar Volume: 288.8±5.0 cm3

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