ChemSpider 2D Image | (16R,17S)-11-Hydroxy-10,13,16,17-tetramethyl-17-propionyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one | C24H34O3

(16R,17S)-11-Hydroxy-10,13,16,17-tetramethyl-17-propionyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one

  • Molecular FormulaC24H34O3
  • Average mass370.525 Da
  • Monoisotopic mass370.250793 Da
  • ChemSpider ID23158853
  • defined stereocentres - 2 of 8 defined stereocentres


More details:






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

(16R,17S)-11-hydroxy-10,13,16,17-tetramethyl-17-propanoyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one (non-preferred name)
(16R,17S)-11-Hydroxy-10,13,16,17-tetramethyl-17-propionyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-on [German] [ACD/IUPAC Name]
(16R,17S)-11-Hydroxy-10,13,16,17-tetramethyl-17-propionyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one [ACD/IUPAC Name]
(16R,17S)-11-Hydroxy-10,13,16,17-tétraméthyl-17-propionyl-6,7,8,9,10,11,12,13,14,15,16,17-dodécahydro-3H-cyclopenta[a]phénanthrén-3-one [French] [ACD/IUPAC Name]
(13R,14S)-17-hydroxy-2,13,14,15-tetramethyl-14-propanoyltetracyclo[8.7.0.02,7.011,15]heptadeca-3,6-dien-5-one
11-Hydroxy-10,13,16,17-tetramethyl-17-propionyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-cyclopenta[a]phenanthren-3-one

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 507.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 89.5±6.0 kJ/mol
Flash Point: 274.5±26.6 °C
Index of Refraction: 1.559
Molar Refractivity: 106.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.01
ACD/LogD (pH 5.5): 3.80
ACD/BCF (pH 5.5): 457.72
ACD/KOC (pH 5.5): 2792.95
ACD/LogD (pH 7.4): 3.80
ACD/BCF (pH 7.4): 457.72
ACD/KOC (pH 7.4): 2792.95
Polar Surface Area: 54 Å2
Polarizability: 42.1±0.5 10-24cm3
Surface Tension: 44.7±5.0 dyne/cm
Molar Volume: 329.2±5.0 cm3

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