ChemSpider 2D Image | (8S,9R,10S,13S,14S,17R)-13-Ethyl-17-ethynyl-17-hydroxy(9,11-~3~H_2_)-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one | C21H26T2O2

(8S,9R,10S,13S,14S,17R)-13-Ethyl-17-ethynyl-17-hydroxy(9,11-3H2)-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one

  • Molecular FormulaC21H26T2O2
  • Average mass316.462 Da
  • Monoisotopic mass316.225372 Da
  • ChemSpider ID8511399

  • defined stereocentres - 6 of 6 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(8S,9R,10S,13S,14S,17R)-13-Ethyl-17-ethynyl-17-hydroxy(9,11-3H2)-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one [ACD/IUPAC Name]
(8S,9R,10S,13S,14S,17R)-13-Éthyl-17-éthynyl-17-hydroxy(9,11-3H2)-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tétradécahydro-3H-cyclopenta[a]phénanthrén-3-one [French] [ACD/IUPAC Name]
(8S,9R,10S,13S,14S,17R)-17-Ethinyl-13-ethyl-17-hydroxy(9,11-3H2)-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-on [German] [ACD/IUPAC Name]

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

Density:
Boiling Point: 459.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 83.0±6.0 kJ/mol
Flash Point: 195.4±21.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.92
ACD/LogD (pH 5.5): 3.32
ACD/BCF (pH 5.5): 195.10
ACD/KOC (pH 5.5): 1516.96
ACD/LogD (pH 7.4): 3.32
ACD/BCF (pH 7.4): 195.10
ACD/KOC (pH 7.4): 1516.96
Polar Surface Area: 37 Å2
Polarizability:
Surface Tension:
Molar Volume:

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