ChemSpider 2D Image | douglanin | C15H20O3

douglanin

  • Molecular FormulaC15H20O3
  • Average mass248.318 Da
  • Monoisotopic mass248.141251 Da
  • ChemSpider ID23257151

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(3aS,5aR,6S,9aS,9bS)-6-Hydroxy-5a,9-dimethyl-3-methylen-3a,4,5,5a,6,7,9a,9b-octahydronaphtho[1,2-b]furan-2(3H)-on [German] [ACD/IUPAC Name]
(3aS,5aR,6S,9aS,9bS)-6-Hydroxy-5a,9-dimethyl-3-methylene-3a,4,5,5a,6,7,9a,9b-octahydronaphtho[1,2-b]furan-2(3H)-one [ACD/IUPAC Name]
(3aS,5aR,6S,9aS,9bS)-6-Hydroxy-5a,9-diméthyl-3-méthylène-3a,4,5,5a,6,7,9a,9b-octahydronaphto[1,2-b]furan-2(3H)-one [French] [ACD/IUPAC Name]
(3aS,5aR,6S,9aS,9bS)-6-hydroxy-5a,9-dimethyl-3-methylidene-3a,4,5,5a,6,7,9a,9b-octahydronaphtho[1,2-b]furan-2(3H)-one
douglanin
Naphtho[1,2-b]furan-2(3H)-one, 3a,4,5,5a,6,7,9a,9b-octahydro-6-hydroxy-5a,9-dimethyl-3-methylene-, (3aS,5aR,6S,9aS,9bS)- [ACD/Index Name]
(3aS,5aR,6S,9aS,9bS)-6-Hydroxy-5a,9-dimethyl-3-methylene-3a,4,5,5a,6,7,9a,9b-octahydro-3H-naphtho[1,2-b]furan-2-one
16886-36-5 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL366059/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 415.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 77.3±6.0 kJ/mol
Flash Point: 176.5±21.5 °C
Index of Refraction: 1.555
Molar Refractivity: 67.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.94
ACD/LogD (pH 5.5): 2.33
ACD/BCF (pH 5.5): 34.45
ACD/KOC (pH 5.5): 438.45
ACD/LogD (pH 7.4): 2.33
ACD/BCF (pH 7.4): 34.45
ACD/KOC (pH 7.4): 438.45
Polar Surface Area: 47 Å2
Polarizability: 26.9±0.5 10-24cm3
Surface Tension: 43.2±5.0 dyne/cm
Molar Volume: 211.6±5.0 cm3

Click to predict properties on the Chemicalize site


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