ChemSpider 2D Image | (8R,9S,10R,13R,14S,17S)-11,17-Dihydroxy-6,10,13-trimethyl-17-(1-propyn-1-yl)-8,9,10,11,12,13,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-3-one (non-preferred name) | C23H28O3

(8R,9S,10R,13R,14S,17S)-11,17-Dihydroxy-6,10,13-trimethyl-17-(1-propyn-1-yl)-8,9,10,11,12,13,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-3-one (non-preferred name)

  • Molecular FormulaC23H28O3
  • Average mass352.467 Da
  • Monoisotopic mass352.203857 Da
  • ChemSpider ID114815918

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(8R,9S,10R,13R,14S,17S)-11,17-Dihydroxy-6,10,13-trimethyl-17-(1-propin-1-yl)-8,9,10,11,12,13,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-3-on (non-preferred name) [German] [ACD/IUPAC Name]
(8R,9S,10R,13R,14S,17S)-11,17-Dihydroxy-6,10,13-trimethyl-17-(1-propyn-1-yl)-8,9,10,11,12,13,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-3-one (non-preferred name) [ACD/IUPAC Name]
(8R,9S,10R,13R,14S,17S)-11,17-Dihydroxy-6,10,13-triméthyl-17-(1-propyn-1-yl)-8,9,10,11,12,13,14,15,16,17-décahydro-3H-cyclopenta[a]phénanthrén-3-one (non-preferred name) [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 533.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.1±6.0 kJ/mol
Flash Point: 290.4±26.6 °C
Index of Refraction: 1.614
Molar Refractivity: 100.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.76
ACD/LogD (pH 5.5): 2.83
ACD/BCF (pH 5.5): 82.98
ACD/KOC (pH 5.5): 822.62
ACD/LogD (pH 7.4): 2.83
ACD/BCF (pH 7.4): 82.98
ACD/KOC (pH 7.4): 822.61
Polar Surface Area: 58 Å2
Polarizability: 40.0±0.5 10-24cm3
Surface Tension: 54.5±5.0 dyne/cm
Molar Volume: 289.3±5.0 cm3

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