ChemSpider 2D Image | (8R,9S,10R,13S,14S,17R)-13-Ethyl-17-ethynyl-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-ol | C21H30O

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

  • Molecular FormulaC21H30O
  • Average mass298.462 Da
  • Monoisotopic mass298.229675 Da
  • ChemSpider ID29789789

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(8R,9S,10R,13S,14S,17R)-13-Ethyl-17-ethynyl-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-ol [ACD/IUPAC Name]
(8R,9S,10R,13S,14S,17R)-13-Éthyl-17-éthynyl-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tétradécahydro-1H-cyclopenta[a]phénanthrén-17-ol [French] [ACD/IUPAC Name]
(8R,9S,10R,13S,14S,17R)-17-Ethinyl-13-ethyl-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-ol [German] [ACD/IUPAC Name]
(17a)-13-Ethyl-18,19-dinorpregn-4-en-20-yn-17-ol
32419-58-2 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 413.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 77.0±6.0 kJ/mol
Flash Point: 181.9±21.7 °C
Index of Refraction: 1.563
Molar Refractivity: 90.1±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 6.36
ACD/LogD (pH 5.5): 5.61
ACD/BCF (pH 5.5): 10870.19
ACD/KOC (pH 5.5): 26960.50
ACD/LogD (pH 7.4): 5.61
ACD/BCF (pH 7.4): 10870.17
ACD/KOC (pH 7.4): 26960.44
Polar Surface Area: 20 Å2
Polarizability: 35.7±0.5 10-24cm3
Surface Tension: 44.9±5.0 dyne/cm
Molar Volume: 277.4±5.0 cm3

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