ChemSpider 2D Image | Silidianin | C25H22O10

Silidianin

  • Molecular FormulaC25H22O10
  • Average mass482.436 Da
  • Monoisotopic mass482.121307 Da
  • ChemSpider ID24534167

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1S,3S,6R,7S,10R)-3-Hydroxy-10-(4-hydroxy-3-methoxyphenyl)-8-[(2R,3R)-3,5,7-trihydroxy-4-oxo-3,4-dihydro-2H-chromen-2-yl]-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-on [German] [ACD/IUPAC Name]
(1S,3S,6R,7S,10R)-3-Hydroxy-10-(4-hydroxy-3-methoxyphenyl)-8-[(2R,3R)-3,5,7-trihydroxy-4-oxo-3,4-dihydro-2H-chromen-2-yl]-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one [ACD/IUPAC Name]
(1S,3S,6R,7S,10R)-3-Hydroxy-10-(4-hydroxy-3-méthoxyphényl)-8-[(2R,3R)-3,5,7-trihydroxy-4-oxo-3,4-dihydro-2H-chromén-2-yl]-4-oxatricyclo[4.3.1.03,7]déc-8-én-2-one [French] [ACD/IUPAC Name]
3,6-Methanobenzofuran-7(6H)-one, 4-[(2R,3R)-3,4-dihydro-3,5,7-trihydroxy-4-oxo-2H-1-benzopyran-2-yl]-2,3,3a,7a-tetrahydro-7a-hydroxy-8-(4-hydroxy-3-methoxyphenyl)-, (3R,3aS,6S,7aS,8R)- [ACD/Index Name]
Silidianin [INN]
(1S,3S,6R,7S,10R)-3-Hydroxy-10-(4-hydroxy-3-methoxyphenyl)-8-[(2R,3R)-3,5,7-trihydroxy-4-oxo-2,3-dihydrochromen-2-yl]-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one
(3R,3aR,6R,7aR)-7a-Hydroxy-8-(4-hydroxy-3-methoxyphenyl)-4-[(2R,3R)-3,5,7-trihydroxy-4-oxo-3,4-dihydro-2H-chromen-2-yl]-2,3,3a,7a-te
MFCD09970974 [MDL number]
Silydianin

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

    Density: 1.7±0.1 g/cm3
    Boiling Point: 819.0±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.1 mmHg at 25°C
    Enthalpy of Vaporization: 124.8±3.0 kJ/mol
    Flash Point: 285.0±27.8 °C
    Index of Refraction: 1.747
    Molar Refractivity: 117.0±0.3 cm3
    #H bond acceptors: 10
    #H bond donors: 5
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 2
    ACD/LogP: 1.84
    ACD/LogD (pH 5.5): 1.50
    ACD/BCF (pH 5.5): 8.02
    ACD/KOC (pH 5.5): 153.45
    ACD/LogD (pH 7.4): 1.02
    ACD/BCF (pH 7.4): 2.70
    ACD/KOC (pH 7.4): 51.66
    Polar Surface Area: 163 Å2
    Polarizability: 46.4±0.5 10-24cm3
    Surface Tension: 93.7±3.0 dyne/cm
    Molar Volume: 287.9±3.0 cm3

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