ChemSpider 2D Image | Kushenol B | C30H36O6

Kushenol B

  • Molecular FormulaC30H36O6
  • Average mass492.603 Da
  • Monoisotopic mass492.251190 Da
  • ChemSpider ID57257066

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-2-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-8-[(2R)-2-isopropenyl-5-methyl-4-hexen-1-yl]-6-(3-methyl-2-buten-1-yl)-2,3-dihydro-4H-chromen-4-on [German] [ACD/IUPAC Name]
(2S)-2-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-8-[(2R)-2-isopropenyl-5-methyl-4-hexen-1-yl]-6-(3-methyl-2-buten-1-yl)-2,3-dihydro-4H-chromen-4-one [ACD/IUPAC Name]
(2S)-2-(2,4-Dihydroxyphényl)-5,7-dihydroxy-8-[(2R)-2-isopropényl-5-méthyl-4-hexén-1-yl]-6-(3-méthyl-2-butén-1-yl)-2,3-dihydro-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-(2,4-dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-6-(3-methyl-2-buten-1-yl)-8-[(2R)-5-methyl-2-(1-methylethenyl)-4-hexen-1-yl]-, (2S)- [ACD/Index Name]
99217-64-8 [RN]
Kushenol B
(2S)-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-(3-methylbut-2-enyl)-8-[(2R)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]-2,3-dihydrochromen-4-one
CID 102004745

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 702.3±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 106.5±3.0 kJ/mol
    Flash Point: 228.2±26.4 °C
    Index of Refraction: 1.605
    Molar Refractivity: 141.5±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 4
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 1
    ACD/LogP: 8.61
    ACD/LogD (pH 5.5): 7.77
    ACD/BCF (pH 5.5): 470243.97
    ACD/KOC (pH 5.5): 399302.16
    ACD/LogD (pH 7.4): 7.64
    ACD/BCF (pH 7.4): 351149.97
    ACD/KOC (pH 7.4): 298174.91
    Polar Surface Area: 107 Å2
    Polarizability: 56.1±0.5 10-24cm3
    Surface Tension: 51.2±3.0 dyne/cm
    Molar Volume: 411.0±3.0 cm3

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