ChemSpider 2D Image | (3aS,13bS,13cR)-8a-(2,4-Dihydroxyphenyl)-6-(6-hydroxy-1-benzofuran-2-yl)-2-methyl-1,8a,13b,13c-tetrahydro-3aH-benzo[3,4]isochromeno[1,8-bc]chromene-4,11-diol | C34H26O8

(3aS,13bS,13cR)-8a-(2,4-Dihydroxyphenyl)-6-(6-hydroxy-1-benzofuran-2-yl)-2-methyl-1,8a,13b,13c-tetrahydro-3aH-benzo[3,4]isochromeno[1,8-bc]chromene-4,11-diol

  • Molecular FormulaC34H26O8
  • Average mass562.565 Da
  • Monoisotopic mass562.162781 Da
  • ChemSpider ID64849704

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(3aS,13bS,13cR)-8a-(2,4-Dihydroxyphenyl)-6-(6-hydroxy-1-benzofuran-2-yl)-2-methyl-1,8a,13b,13c-tetrahydro-3aH-benzo[3,4]isochromeno[1,8-bc]chromen-4,11-diol [German] [ACD/IUPAC Name]
(3aS,13bS,13cR)-8a-(2,4-Dihydroxyphenyl)-6-(6-hydroxy-1-benzofuran-2-yl)-2-methyl-1,8a,13b,13c-tetrahydro-3aH-benzo[3,4]isochromeno[1,8-bc]chromene-4,11-diol [ACD/IUPAC Name]
(3aS,13bS,13cR)-8a-(2,4-Dihydroxyphényl)-6-(6-hydroxy-1-benzofuran-2-yl)-2-méthyl-1,8a,13b,13c-tétrahydro-3aH-benzo[3,4]isochroméno[1,8-bc]chromène-4,11-diol [French] [ACD/IUPAC Name]
3aH-Benzo[3,4][2]benzopyrano[1,8-bc][1]benzopyran-4,11-diol, 8a-(2,4-dihydroxyphenyl)-1,8a,13b,13c-tetrahydro-6-(6-hydroxy-2-benzofuranyl)-2-methyl-, (3aS,13bS,13cR)- [ACD/Index Name]
87085-00-5 [RN]
MFCD26406131
MFCD31631870
Mulberrofuran G

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 695.1±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 105.5±3.0 kJ/mol
    Flash Point: 374.2±31.5 °C
    Index of Refraction: 1.745
    Molar Refractivity: 153.6±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 5
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 3
    ACD/LogP: 6.75
    ACD/LogD (pH 5.5): 6.50
    ACD/BCF (pH 5.5): 51451.91
    ACD/KOC (pH 5.5): 82011.20
    ACD/LogD (pH 7.4): 6.47
    ACD/BCF (pH 7.4): 47437.23
    ACD/KOC (pH 7.4): 75612.05
    Polar Surface Area: 133 Å2
    Polarizability: 60.9±0.5 10-24cm3
    Surface Tension: 71.7±3.0 dyne/cm
    Molar Volume: 378.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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