ChemSpider 2D Image | 8-[1-(6-Ethyl-3,5-dimethyl-4-oxo-4H-pyran-2-yl)ethyl]-8,10-dihydroxy-3,5,9,11-tetramethyl-2-(3-oxo-2-pentanyl)-1,7-dioxaspiro[5.5]undecan-4-one | C29H44O8

8-[1-(6-Ethyl-3,5-dimethyl-4-oxo-4H-pyran-2-yl)ethyl]-8,10-dihydroxy-3,5,9,11-tetramethyl-2-(3-oxo-2-pentanyl)-1,7-dioxaspiro[5.5]undecan-4-one

  • Molecular FormulaC29H44O8
  • Average mass520.655 Da
  • Monoisotopic mass520.303589 Da
  • ChemSpider ID28287599

More details:

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Natural Product Updates

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

8-[1-(6-Ethyl-3,5-dimethyl-4-oxo-4H-pyran-2-yl)ethyl]-8,10-dihydroxy-3,5,9,11-tetramethyl-2-(3-oxo-2-pentanyl)-1,7-dioxaspiro[5.5]undecan-4-on [German] [ACD/IUPAC Name]
8-[1-(6-Ethyl-3,5-dimethyl-4-oxo-4H-pyran-2-yl)ethyl]-8,10-dihydroxy-3,5,9,11-tetramethyl-2-(3-oxo-2-pentanyl)-1,7-dioxaspiro[5.5]undecan-4-one [ACD/IUPAC Name]
8-[1-(6-Éthyl-3,5-diméthyl-4-oxo-4H-pyran-2-yl)éthyl]-8,10-dihydroxy-3,5,9,11-tétraméthyl-2-(3-oxo-2-pentanyl)-1,7-dioxaspiro[5.5]undécan-4-one [French] [ACD/IUPAC Name]
siphonarin B

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

Density: 1.2±0.1 g/cm3
Boiling Point: 675.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.5±6.0 kJ/mol
Flash Point: 214.6±25.0 °C
Index of Refraction: 1.536
Molar Refractivity: 137.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.15
ACD/LogD (pH 5.5): 3.87
ACD/BCF (pH 5.5): 511.27
ACD/KOC (pH 5.5): 3023.14
ACD/LogD (pH 7.4): 3.87
ACD/BCF (pH 7.4): 511.27
ACD/KOC (pH 7.4): 3023.08
Polar Surface Area: 119 Å2
Polarizability: 54.5±0.5 10-24cm3
Surface Tension: 46.1±5.0 dyne/cm
Molar Volume: 441.6±5.0 cm3

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