ChemSpider 2D Image | Yadanzioside A | C32H44O16

Yadanzioside A

  • Molecular FormulaC32H44O16
  • Average mass684.682 Da
  • Monoisotopic mass684.262939 Da
  • ChemSpider ID28532191

  • defined stereocentres - 16 of 16 defined stereocentres

More details:

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

(11β,12α,13β,15β)-2-(β-D-Glucopyranosyloxy)-11,12-dihydroxy-15-[(3-méthylbutanoyl)oxy]-3,16-dioxo-13,20-époxypicras-1-én-21-oate de méthyle [French] [ACD/IUPAC Name]
(11β,12α,15β)-2-(β-D-Glucopyranosyloxy)-11,12-dihydroxy-15-[(3-méthylbutanoyl)oxy]-3,16-dioxo-13,20-epoxypicras-1-én-21-oate de méthyle [French] [ACD/IUPAC Name]
(11β,12α,15β)-2-(β-D-Glucopyranosyloxy)-11,12-dihydroxy-15-[(3-méthylbutanoyl)oxy]-3,16-dioxo-13,20-époxypicras-1-én-21-oate de méthyle [French] [ACD/IUPAC Name]
(12α,13β,15β)-2-(β-D-Glucopyranosyloxy)-11,12-dihydroxy-15-[(3-méthylbutanoyl)oxy]-3,16-dioxo-13,20-époxypicras-1-én-21-oate de méthyle [French] [ACD/IUPAC Name]
95258-15-4 [RN]
Methyl (11β,12α,13β,15β)-2-(β-D-glucopyranosyloxy)-11,12-dihydroxy-15-[(3-methylbutanoyl)oxy]-3,16-dioxo-13,20-epoxypicras-1-en-21-oate [ACD/IUPAC Name]
Methyl (11β,12α,15β)-2-(β-D-glucopyranosyloxy)-11,12-dihydroxy-15-[(3-methylbutanoyl)oxy]-3,16-dioxo-13,20-epoxypicras-1-en-21-oate [ACD/IUPAC Name]
Methyl (12α,13β,15β)-2-(β-D-glucopyranosyloxy)-11,12-dihydroxy-15-[(3-methylbutanoyl)oxy]-3,16-dioxo-13,20-epoxypicras-1-en-21-oate [ACD/IUPAC Name]
Methyl-(11β,12α,13β,15β)-2-(β-D-glucopyranosyloxy)-11,12-dihydroxy-15-[(3-methylbutanoyl)oxy]-3,16-dioxo-13,20-epoxypicras-1-en-21-oat [German] [ACD/IUPAC Name]
Methyl-(11β,12α,15β)-2-(β-D-glucopyranosyloxy)-11,12-dihydroxy-15-[(3-methylbutanoyl)oxy]-3,16-dioxo-13,20-epoxypicras-1-en-21-oat [German] [ACD/IUPAC Name]
More...

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 884.0±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 145.9±6.0 kJ/mol
    Flash Point: 279.5±27.8 °C
    Index of Refraction: 1.621
    Molar Refractivity: 157.5±0.4 cm3
    #H bond acceptors: 16
    #H bond donors: 6
    #Freely Rotating Bonds: 15
    #Rule of 5 Violations: 3
    ACD/LogP: 1.34
    ACD/LogD (pH 5.5): 1.34
    ACD/BCF (pH 5.5): 6.09
    ACD/KOC (pH 5.5): 126.83
    ACD/LogD (pH 7.4): 1.34
    ACD/BCF (pH 7.4): 6.09
    ACD/KOC (pH 7.4): 126.83
    Polar Surface Area: 245 Å2
    Polarizability: 62.4±0.5 10-24cm3
    Surface Tension: 76.5±5.0 dyne/cm
    Molar Volume: 447.7±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement