ChemSpider 2D Image | (9S,10S,13S,14R)-13-Methyl-10-(2-propyn-1-yl)-7,8,9,10,11,12,13,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17(2H,6H)-dione | C21H26O2

(9S,10S,13S,14R)-13-Methyl-10-(2-propyn-1-yl)-7,8,9,10,11,12,13,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17(2H,6H)-dione

  • Molecular FormulaC21H26O2
  • Average mass310.430 Da
  • Monoisotopic mass310.193268 Da
  • ChemSpider ID25995586

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(9S,10S,13S,14R)-13-Methyl-10-(2-propin-1-yl)-7,8,9,10,11,12,13,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3,17(2H,6H)-dion [German] [ACD/IUPAC Name]
(9S,10S,13S,14R)-13-Methyl-10-(2-propyn-1-yl)-7,8,9,10,11,12,13,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17(2H,6H)-dione [ACD/IUPAC Name]
(9S,10S,13S,14R)-13-Méthyl-10-(2-propyn-1-yl)-7,8,9,10,11,12,13,14,15,16-décahydro-1H-cyclopenta[a]phénanthrène-3,17(2H,6H)-dione [French] [ACD/IUPAC Name]
(9S,10S,13S,14S)-13-methyl-10-prop-2-ynyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione

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

Density: 1.1±0.1 g/cm3
Boiling Point: 460.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.2±3.0 kJ/mol
Flash Point: 171.5±25.7 °C
Index of Refraction: 1.563
Molar Refractivity: 88.8±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.86
ACD/LogD (pH 5.5): 2.98
ACD/BCF (pH 5.5): 109.02
ACD/KOC (pH 5.5): 1000.11
ACD/LogD (pH 7.4): 2.98
ACD/BCF (pH 7.4): 109.02
ACD/KOC (pH 7.4): 1000.11
Polar Surface Area: 34 Å2
Polarizability: 35.2±0.5 10-24cm3
Surface Tension: 46.5±5.0 dyne/cm
Molar Volume: 273.2±5.0 cm3

Click to predict properties on the Chemicalize site


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