ChemSpider 2D Image | 3beta,5beta-Dihydroxy-15beta,16beta-methylene-androst-6-en-17-one | C20H28O3

3β,5β-Dihydroxy-15β,16β-methylene-androst-6-en-17-one

  • Molecular FormulaC20H28O3
  • Average mass316.435 Da
  • Monoisotopic mass316.203857 Da
  • ChemSpider ID21196344

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(2S,4aR,4bS,6aS,7aS,8aS,8bS,8cR,10aR)-2,10a-Dihydroxy-4a,6a-dimethyl-2,3,4,4a,4b,5,6,6a,7a,8,8a,8b,8c,10a-tetradecahydrocyclopropa[4,5]cyclopenta[1,2-a]phenanthren-7(1H)-on [German] [ACD/IUPAC Name]
(2S,4aR,4bS,6aS,7aS,8aS,8bS,8cR,10aR)-2,10a-Dihydroxy-4a,6a-dimethyl-2,3,4,4a,4b,5,6,6a,7a,8,8a,8b,8c,10a-tetradecahydrocyclopropa[4,5]cyclopenta[1,2-a]phenanthren-7(1H)-one [ACD/IUPAC Name]
(2S,4aR,4bS,6aS,7aS,8aS,8bS,8cR,10aR)-2,10a-Dihydroxy-4a,6a-diméthyl-2,3,4,4a,4b,5,6,6a,7a,8,8a,8b,8c,10a-tétradécahydrocyclopropa[4,5]cyclopenta[1,2-a]phénanthrén-7(1H)-one [French] [ACD/IUPAC Name]
3β,5β-Dihydroxy-15β,16β-methylene-5 β-androst-6-en-17-one
3β,5β-Dihydroxy-15β,16β-methylene-androst-6-en-17-one
82543-15-5 [RN]
Cyclopropa[4,5]cyclopenta[1,2-a]phenanthren-7(1H)-one, 2,3,4,4a,4b,5,6,6a,7a,8,8a,8b,8c,10a-tetradecahydro-2,10a-dihydroxy-4a,6a-dimethyl-, (2S,4aR,4bS,6aS,7aS,8aS,8bS,8cR,10aR)- [ACD/Index Name]
L F6 C6 B653 PV DUTJ FQ HQ K1 O1 &&stereoisomer [WLN]
(2S,4aR,4bS,6aS,7aS,8aS,8bS,10aR)-2,10a-Dihydroxy-4a,6a-dimethyl-2,3,4,4a,4b,5,6,6a,7a,8,8a,8b,8c,10a-tetradecahydrocyclopropa[4,5]cyclopenta[1,2-a]phenanthren-7(1H)-one
(3b,5b,15a,16a)-15,16-Dihydro-3,5-dihydroxy-3'H-cycloprop[15,16]androsta-6,15-dien-17-one
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 467.3±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.6 mmHg at 25°C
    Enthalpy of Vaporization: 84.1±6.0 kJ/mol
    Flash Point: 250.5±25.2 °C
    Index of Refraction: 1.611
    Molar Refractivity: 87.3±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 1.75
    ACD/LogD (pH 5.5): 2.16
    ACD/BCF (pH 5.5): 25.63
    ACD/KOC (pH 5.5): 354.77
    ACD/LogD (pH 7.4): 2.16
    ACD/BCF (pH 7.4): 25.63
    ACD/KOC (pH 7.4): 354.77
    Polar Surface Area: 58 Å2
    Polarizability: 34.6±0.5 10-24cm3
    Surface Tension: 55.8±3.0 dyne/cm
    Molar Volume: 251.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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