Found 57 results

Search term: MF = 'C_{30}H_{39}NO_{2}'
ChemSpider 2D Image | (8S,9R,10R,11S,13S,14S,17S)-11-[4-(Dimethylamino)phenyl]-17-hydroxy-10,13-dimethyl-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-preferre d name) | C30H39NO2

(8S,9R,10R,11S,13S,14S,17S)-11-[4-(Dimethylamino)phenyl]-17-hydroxy-10,13-dimethyl-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-preferre d name)

  • Molecular FormulaC30H39NO2
  • Average mass445.636 Da
  • Monoisotopic mass445.298065 Da
  • ChemSpider ID78317692

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(8S,9R,10R,11S,13S,14S,17S)-11-[4-(Dimethylamino)phenyl]-17-hydroxy-10,13-dimethyl-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]
(8S,9R,10R,11S,13S,14S,17S)-11-[4-(Dimethylamino)phenyl]-17-hydroxy-10,13-dimethyl-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-preferre d name) [ACD/IUPAC Name]
(8S,9R,10R,11S,13S,14S,17S)-11-[4-(Diméthylamino)phényl]-17-hydroxy-10,13-diméthyl-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-preferre d name) [French] [ACD/IUPAC Name]
(8S,9R,10R,11S,13S,14S,17S)-11-[4-(dimethylamino)phenyl]-17-hydroxy-10,13-dimethyl-17-prop-1-ynyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
2102494-14-2 [RN]
OP-3633

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

Density: 1.2±0.1 g/cm3
Boiling Point: 604.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.5±3.0 kJ/mol
Flash Point: 319.2±31.5 °C
Index of Refraction: 1.604
Molar Refractivity: 132.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.64
ACD/LogD (pH 5.5): 5.04
ACD/BCF (pH 5.5): 3357.31
ACD/KOC (pH 5.5): 9573.79
ACD/LogD (pH 7.4): 5.33
ACD/BCF (pH 7.4): 6571.37
ACD/KOC (pH 7.4): 18739.09
Polar Surface Area: 41 Å2
Polarizability: 52.7±0.5 10-24cm3
Surface Tension: 51.8±5.0 dyne/cm
Molar Volume: 386.1±5.0 cm3

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