ChemSpider 2D Image | (3S,3aR,4S,6aR,8bS,8cS)-3,8a-Dimethyl-6-methylene-2-oxododecahydrooxireno[2,3]azuleno[4,5-b]furan-4-yl acetate | C17H22O5

(3S,3aR,4S,6aR,8bS,8cS)-3,8a-Dimethyl-6-methylene-2-oxododecahydrooxireno[2,3]azuleno[4,5-b]furan-4-yl acetate

  • Molecular FormulaC17H22O5
  • Average mass306.354 Da
  • Monoisotopic mass306.146729 Da
  • ChemSpider ID35518568

  • defined stereocentres - 6 of 8 defined stereocentres

More details:

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

(3S,3aR,4S,6aR,8bS,8cS)-3,8a-Dimethyl-6-methylen-2-oxododecahydrooxireno[2,3]azuleno[4,5-b]furan-4-yl-acetat [German] [ACD/IUPAC Name]
(3S,3aR,4S,6aR,8bS,8cS)-3,8a-Dimethyl-6-methylene-2-oxododecahydrooxireno[2,3]azuleno[4,5-b]furan-4-yl acetate [ACD/IUPAC Name]
Acétate de (3S,3aR,4S,6aR,8bS,8cS)-3,8a-diméthyl-6-méthylène-2-oxododécahydrooxiréno[2,3]azuléno[4,5-b]furan-4-yle [French] [ACD/IUPAC Name]
Oxireno[2,3]azuleno[4,5-b]furan-2(3H)-one, 4-(acetyloxy)decahydro-3,8a-dimethyl-6-methylene-, (3S,3aR,4S,6aR,8bS,8cS)- [ACD/Index Name]
Viscidulin 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: 437.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.4±3.0 kJ/mol
Flash Point: 193.6±28.8 °C
Index of Refraction: 1.543
Molar Refractivity: 77.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.79
ACD/LogD (pH 5.5): 1.55
ACD/BCF (pH 5.5): 8.86
ACD/KOC (pH 5.5): 165.88
ACD/LogD (pH 7.4): 1.55
ACD/BCF (pH 7.4): 8.86
ACD/KOC (pH 7.4): 165.88
Polar Surface Area: 65 Å2
Polarizability: 30.7±0.5 10-24cm3
Surface Tension: 43.7±5.0 dyne/cm
Molar Volume: 245.7±5.0 cm3

Click to predict properties on the Chemicalize site


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