ChemSpider 2D Image | 5alpha-Stigmastan-3,6-dione | C29H48O2

5α-Stigmastan-3,6-dione

  • Molecular FormulaC29H48O2
  • Average mass428.690 Da
  • Monoisotopic mass428.365417 Da
  • ChemSpider ID20038712

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(5α)-Stigmastan-3,6-dion [German] [ACD/IUPAC Name]
(5α)-Stigmastane-3,6-dione [ACD/IUPAC Name]
(5α)-Stigmastane-3,6-dione [French] [ACD/IUPAC Name]
5α-Stigmastan-3,6-dione
5α-Stigmastane-3,6-dione
Stigmastane-3,6-dione, (5α)-
Stigmastane-3,6-dione, (5α)- [ACD/Index Name]
(5??)-Stigmastane-3,6-dione
(5S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,4,5,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-dione
22149-69-5 [RN]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.0±0.1 g/cm3
    Boiling Point: 519.5±33.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 79.2±3.0 kJ/mol
    Flash Point: 191.5±22.4 °C
    Index of Refraction: 1.501
    Molar Refractivity: 128.2±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 1
    ACD/LogP: 8.37
    ACD/LogD (pH 5.5): 6.89
    ACD/BCF (pH 5.5): 101035.88
    ACD/KOC (pH 5.5): 132978.88
    ACD/LogD (pH 7.4): 6.89
    ACD/BCF (pH 7.4): 101035.88
    ACD/KOC (pH 7.4): 132978.88
    Polar Surface Area: 34 Å2
    Polarizability: 50.8±0.5 10-24cm3
    Surface Tension: 35.1±3.0 dyne/cm
    Molar Volume: 435.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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