ChemSpider 2D Image | (+)-Parthenin | C15H18O4

(+)-Parthenin

  • Molecular FormulaC15H18O4
  • Average mass262.301 Da
  • Monoisotopic mass262.120514 Da
  • ChemSpider ID34981138

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

Featured data source
The Merck Index Online

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

(+)-Parthenin
(3aS,6S,6aS,9aS,9bS)-6a-Hydroxy-6,9a-dimethyl-3-methylen-3,3a,4,5,6,6a,9a,9b-octahydroazuleno[4,5-b]furan-2,9-dion [German] [ACD/IUPAC Name]
(3aS,6S,6aS,9aS,9bS)-6a-Hydroxy-6,9a-dimethyl-3-methylene-3,3a,4,5,6,6a,9a,9b-octahydroazuleno[4,5-b]furan-2,9-dione [ACD/IUPAC Name]
(3aS,6S,6aS,9aS,9bS)-6a-Hydroxy-6,9a-diméthyl-3-méthylène-3,3a,4,5,6,6a,9a,9b-octahydroazuléno[4,5-b]furane-2,9-dione [French] [ACD/IUPAC Name]
508-59-8 [RN]
Azuleno[4,5-b]furan-2,9-dione, 3,3a,4,5,6,6a,9a,9b-octahydro-6a-hydroxy-6,9a-dimethyl-3-methylene-, (3aS,6S,6aS,9aS,9bS)- [ACD/Index Name]
parthenicin
Parthenin

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

Density: 1.3±0.1 g/cm3
Boiling Point: 466.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 84.0±6.0 kJ/mol
Flash Point: 177.3±22.2 °C
Index of Refraction: 1.569
Molar Refractivity: 68.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.69
ACD/LogD (pH 5.5): 0.95
ACD/BCF (pH 5.5): 3.12
ACD/KOC (pH 5.5): 78.63
ACD/LogD (pH 7.4): 0.95
ACD/BCF (pH 7.4): 3.12
ACD/KOC (pH 7.4): 78.63
Polar Surface Area: 64 Å2
Polarizability: 27.1±0.5 10-24cm3
Surface Tension: 48.3±5.0 dyne/cm
Molar Volume: 208.5±5.0 cm3

Click to predict properties on the Chemicalize site


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