ChemSpider 2D Image | 7-{[(2E,6S)-6,7-Dihydroxy-3,7-dimethyl-2-octen-1-yl]oxy}-3-(4-methoxyphenyl)-4H-chromen-4-one | C26H30O6

7-{[(2E,6S)-6,7-Dihydroxy-3,7-dimethyl-2-octen-1-yl]oxy}-3-(4-methoxyphenyl)-4H-chromen-4-one

  • Molecular FormulaC26H30O6
  • Average mass438.513 Da
  • Monoisotopic mass438.204254 Da
  • ChemSpider ID28284067

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

4H-1-Benzopyran-4-one, 7-[[(2E,6S)-6,7-dihydroxy-3,7-dimethyl-2-octen-1-yl]oxy]-3-(4-methoxyphenyl)- [ACD/Index Name]
7-{[(2E,6S)-6,7-Dihydroxy-3,7-dimethyl-2-octen-1-yl]oxy}-3-(4-methoxyphenyl)-4H-chromen-4-on [German] [ACD/IUPAC Name]
7-{[(2E,6S)-6,7-Dihydroxy-3,7-dimethyl-2-octen-1-yl]oxy}-3-(4-methoxyphenyl)-4H-chromen-4-one [ACD/IUPAC Name]
7-{[(2E,6S)-6,7-Dihydroxy-3,7-diméthyl-2-octén-1-yl]oxy}-3-(4-méthoxyphényl)-4H-chromén-4-one [French] [ACD/IUPAC Name]
griffonianone D

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

Density: 1.2±0.1 g/cm3
Boiling Point: 633.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.4±3.0 kJ/mol
Flash Point: 212.1±25.0 °C
Index of Refraction: 1.585
Molar Refractivity: 122.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.11
ACD/LogD (pH 5.5): 4.05
ACD/BCF (pH 5.5): 701.81
ACD/KOC (pH 5.5): 3792.49
ACD/LogD (pH 7.4): 4.05
ACD/BCF (pH 7.4): 701.81
ACD/KOC (pH 7.4): 3792.49
Polar Surface Area: 85 Å2
Polarizability: 48.4±0.5 10-24cm3
Surface Tension: 49.2±3.0 dyne/cm
Molar Volume: 364.7±3.0 cm3

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