ChemSpider 2D Image | (8S,9S,10R,11R,13S,14S)-13-Ethyl-11-hydroxy-7,8,9,10,11,12,13,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17(2H,6H)-dione | C19H26O3

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

  • Molecular FormulaC19H26O3
  • Average mass302.408 Da
  • Monoisotopic mass302.188202 Da
  • ChemSpider ID28599794

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(8S,9S,10R,11R,13S,14S)-13-Ethyl-11-hydroxy-7,8,9,10,11,12,13,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3,17(2H,6H)-dion [German] [ACD/IUPAC Name]
(8S,9S,10R,11R,13S,14S)-13-Ethyl-11-hydroxy-7,8,9,10,11,12,13,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17(2H,6H)-dione [ACD/IUPAC Name]
(8S,9S,10R,11R,13S,14S)-13-Éthyl-11-hydroxy-7,8,9,10,11,12,13,14,15,16-décahydro-1H-cyclopenta[a]phénanthrène-3,17(2H,6H)-dione [French] [ACD/IUPAC Name]
53067-82-6 [RN]
(8S,9S,10R,11R,13S,14S)-13-ethyl-11-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione
(8S,9S,10R,11R,13S,14S)-13-ethyl-11-hydroxy-1,6,7,8,9,10,11,12,13,14,15,16-dodecahydro-3H-cyclopenta[a]phenanthrene-3,17(2H)-dione
(8S,9S,11R,13S,14S)-13-Ethyl-11-hydroxy-7,8,9,10,11,12,13,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17(2H,6H)-dione (non-preferred name)
11??-hydroxy-13-ethyl-gon-4-ene-3,17-dione
11a-Hydroxy-18-methylestr-4-ene-3,17-dione
11A-Hydroxy-18-methyl-estr-4-ene-3,17-dione
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 489.8±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.8 mmHg at 25°C
    Enthalpy of Vaporization: 87.1±6.0 kJ/mol
    Flash Point: 264.1±25.2 °C
    Index of Refraction: 1.569
    Molar Refractivity: 83.2±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 1.33
    ACD/LogD (pH 5.5): 1.86
    ACD/BCF (pH 5.5): 15.22
    ACD/KOC (pH 5.5): 244.31
    ACD/LogD (pH 7.4): 1.86
    ACD/BCF (pH 7.4): 15.22
    ACD/KOC (pH 7.4): 244.31
    Polar Surface Area: 54 Å2
    Polarizability: 33.0±0.5 10-24cm3
    Surface Tension: 48.5±5.0 dyne/cm
    Molar Volume: 254.1±5.0 cm3

    Click to predict properties on the Chemicalize site


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