ChemSpider 2D Image | (6S,8R,10R,13S,14S,17S)-17-Hydroxy-6,10,13-trimethyl-17-(1-propyn-1-yl)-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one (non-preferred name) | C23H32O2

(6S,8R,10R,13S,14S,17S)-17-Hydroxy-6,10,13-trimethyl-17-(1-propyn-1-yl)-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one (non-preferred name)

  • Molecular FormulaC23H32O2
  • Average mass340.499 Da
  • Monoisotopic mass340.240234 Da
  • ChemSpider ID35147859

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(6S,8R,10R,13S,14S,17S)-17-Hydroxy-6,10,13-trimethyl-17-(1-propin-1-yl)-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-on (non-preferred name) [German] [ACD/IUPAC Name]
(6S,8R,10R,13S,14S,17S)-17-Hydroxy-6,10,13-trimethyl-17-(1-propyn-1-yl)-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one (non-preferred name) [ACD/IUPAC Name]
(6S,8R,10R,13S,14S,17S)-17-Hydroxy-6,10,13-triméthyl-17-(1-propyn-1-yl)-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tétradécahydro-3H-cyclopenta[a]phénanthrén-3-one (non-preferred name) [French] [ACD/IUPAC Name]
(6S,8R,10R,13S,14S,17S)-17-hydroxy-6,10,13-trimethyl-17-prop-1-ynyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
79-64-1 [RN]
dimethisterone [INN] [Wiki]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 479.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 85.7±6.0 kJ/mol
Flash Point: 203.5±21.3 °C
Index of Refraction: 1.566
Molar Refractivity: 99.7±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.53
ACD/LogD (pH 5.5): 3.99
ACD/BCF (pH 5.5): 631.36
ACD/KOC (pH 5.5): 3515.94
ACD/LogD (pH 7.4): 3.99
ACD/BCF (pH 7.4): 631.36
ACD/KOC (pH 7.4): 3515.93
Polar Surface Area: 37 Å2
Polarizability: 39.5±0.5 10-24cm3
Surface Tension: 46.4±5.0 dyne/cm
Molar Volume: 305.5±5.0 cm3

Click to predict properties on the Chemicalize site


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