Found 134 results

Search term: MF = 'C_{25}H_{39}NO_{6}'
ChemSpider 2D Image | (1E,5R,11R,14S)-1-(Hydroxyimino)-10,13-dimethyl-17-(2-methyl-1,3-dioxolan-2-yl)hexadecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolan]-11-ol | C25H39NO6

(1E,5R,11R,14S)-1-(Hydroxyimino)-10,13-dimethyl-17-(2-methyl-1,3-dioxolan-2-yl)hexadecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolan]-11-ol

  • Molecular FormulaC25H39NO6
  • Average mass449.580 Da
  • Monoisotopic mass449.277740 Da
  • ChemSpider ID30997719

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 8 defined stereocentres

More details:

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

(1E,5R,11R,14S)-1-(Hydroxyimino)-10,13-dimethyl-17-(2-methyl-1,3-dioxolan-2-yl)hexadecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolan]-11-ol [ACD/IUPAC Name]
Spiro[3H-cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolan]-1(2H)-one, tetradecahydro-11-hydroxy-10,13-dimethyl-17-(2-methyl-1,3-dioxolan-2-yl)-, oxime, (1E,5R,11R,14S)- [ACD/Index Name]
(1'E,5'R,11'R,14'S)-1'-hydroxyimino-10',13'-dimethyl-17'-(2-methyl-1,3-dioxolan-2-yl)spiro[1,3-dioxolane-2,3'-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-2H-cyclopenta[a]phenanthrene]-11'-ol

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 585.6±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.7 mmHg at 25°C
    Enthalpy of Vaporization: 100.4±6.0 kJ/mol
    Flash Point: 308.0±30.1 °C
    Index of Refraction: 1.666
    Molar Refractivity: 114.4±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 2.31
    ACD/LogD (pH 5.5): 2.49
    ACD/BCF (pH 5.5): 45.97
    ACD/KOC (pH 5.5): 539.05
    ACD/LogD (pH 7.4): 2.49
    ACD/BCF (pH 7.4): 45.97
    ACD/KOC (pH 7.4): 539.04
    Polar Surface Area: 90 Å2
    Polarizability: 45.3±0.5 10-24cm3
    Surface Tension: 54.4±7.0 dyne/cm
    Molar Volume: 307.7±7.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement