ChemSpider 2D Image | (8R,9S,10R,13S,14S,17R)-13-Ethyl-17-ethynyl-3-methoxy-2,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol | C22H30O2

(8R,9S,10R,13S,14S,17R)-13-Ethyl-17-ethynyl-3-methoxy-2,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol

  • Molecular FormulaC22H30O2
  • Average mass326.472 Da
  • Monoisotopic mass326.224579 Da
  • ChemSpider ID29789799

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(8R,9S,10R,13S,14S,17R)-13-Ethyl-17-ethynyl-3-methoxy-2,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol [ACD/IUPAC Name]
(8R,9S,10R,13S,14S,17R)-13-Éthyl-17-éthynyl-3-méthoxy-2,7,8,9,10,11,12,13,14,15,16,17-dodécahydro-1H-cyclopenta[a]phénanthrén-17-ol [French] [ACD/IUPAC Name]
(8R,9S,10R,13S,14S,17R)-17-Ethinyl-13-ethyl-3-methoxy-2,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol [German] [ACD/IUPAC Name]
(17??)-13-Ethyl-3-methoxy-18,19-dinorpregna-3,5-dien-20-yn-17-ol
(17a)-13-Ethyl-3-methoxy-18,19-dinorpregna-3,5-dien-20-yn-17-ol
(8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-3-methoxy-2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-ol
?17??-13-Ethyl-3-methoxy-18,19-dinorpregna-3,5-dien-20-yn-17-ol
176254-10-7 [RN]
Levonorgestrel EP Impurity S
Levonorgestrel-3-methyldienol ether
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 473.7±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.7 mmHg at 25°C
    Enthalpy of Vaporization: 84.9±6.0 kJ/mol
    Flash Point: 206.9±23.0 °C
    Index of Refraction: 1.570
    Molar Refractivity: 96.1±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 1
    ACD/LogP: 5.12
    ACD/LogD (pH 5.5): 4.08
    ACD/BCF (pH 5.5): 747.99
    ACD/KOC (pH 5.5): 3969.52
    ACD/LogD (pH 7.4): 4.08
    ACD/BCF (pH 7.4): 747.99
    ACD/KOC (pH 7.4): 3969.51
    Polar Surface Area: 29 Å2
    Polarizability: 38.1±0.5 10-24cm3
    Surface Tension: 45.9±5.0 dyne/cm
    Molar Volume: 292.9±5.0 cm3

    Click to predict properties on the Chemicalize site


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