ChemSpider 2D Image | (3Z,8R,9S,10R,13S,14S,17R)-13-Ethyl-17-ethynyl-3-(hydroxyimino)-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-ol | C21H29NO2

(3Z,8R,9S,10R,13S,14S,17R)-13-Ethyl-17-ethynyl-3-(hydroxyimino)-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-ol

  • Molecular FormulaC21H29NO2
  • Average mass327.461 Da
  • Monoisotopic mass327.219818 Da
  • ChemSpider ID28534261

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

Featured data source
The Merck Index Online

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

(3Z,8R,9S,10R,13S,14S,17R)-13-Ethyl-17-ethynyl-3-(hydroxyimino)-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-ol [ACD/IUPAC Name]
(3Z,8R,9S,10R,13S,14S,17R)-13-Éthyl-17-éthynyl-3-(hydroxyimino)-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tétradécahydro-1H-cyclopenta[a]phénanthrén-17-ol [French] [ACD/IUPAC Name]
(3Z,8R,9S,10R,13S,14S,17R)-17-Ethinyl-13-ethyl-3-(hydroxyimino)-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-ol [German] [ACD/IUPAC Name]
(3Z,8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-3-hydroxyimino-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ol
(8R,9S,10R,13S,14S,17R,E)-13-ethyl-17-ethynyl-17-hydroxy-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one oxime
17-Desacetyl Norgestimate
53016-31-2 [RN]
74183-54-3 [RN]
MFCD03695603
norelgestromin [INN] [Wiki]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 491.9±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.8 mmHg at 25°C
    Enthalpy of Vaporization: 87.4±6.0 kJ/mol
    Flash Point: 327.1±18.0 °C
    Index of Refraction: 1.633
    Molar Refractivity: 94.6±0.5 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 4.40
    ACD/LogD (pH 5.5): 4.07
    ACD/BCF (pH 5.5): 724.33
    ACD/KOC (pH 5.5): 3879.22
    ACD/LogD (pH 7.4): 4.07
    ACD/BCF (pH 7.4): 724.23
    ACD/KOC (pH 7.4): 3878.70
    Polar Surface Area: 53 Å2
    Polarizability: 37.5±0.5 10-24cm3
    Surface Tension: 46.6±7.0 dyne/cm
    Molar Volume: 264.8±7.0 cm3

    Click to predict properties on the Chemicalize site


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