ChemSpider 2D Image | (3aS,4S,6aS,9R,9aS,9bS)-4-Hydroxy-9-methyl-3,6-bis(methylene)octahydroazuleno[4,5-b]furan-2,8(3H,4H)-dione | C15H18O4

(3aS,4S,6aS,9R,9aS,9bS)-4-Hydroxy-9-methyl-3,6-bis(methylene)octahydroazuleno[4,5-b]furan-2,8(3H,4H)-dione

  • Molecular FormulaC15H18O4
  • Average mass262.301 Da
  • Monoisotopic mass262.120514 Da
  • ChemSpider ID28286209

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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(3aS,4S,6aS,9R,9aS,9bS)-4-Hydroxy-9-methyl-3,6-bis(methylene)octahydroazuleno[4,5-b]furan-2,8(3H,4H)-dione [ACD/IUPAC Name]
(3aS,4S,6aS,9R,9aS,9bS)-4-Hydroxy-9-méthyl-3,6-diméthylèneoctahydroazuléno[4,5-b]furane-2,8(3H,4H)-dione [French] [ACD/IUPAC Name]
(3aS,4S,6aS,9R,9aS,9bS)-4-Hydroxy-9-methyl-3,6-dimethylenoctahydroazuleno[4,5-b]furan-2,8(3H,4H)-dion [German] [ACD/IUPAC Name]
Azuleno[4,5-b]furan-2,8(3H,4H)-dione, octahydro-4-hydroxy-9-methyl-3,6-bis(methylene)-, (3aS,4S,6aS,9R,9aS,9bS)- [ACD/Index Name]
()-8-epigrosheimin

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

Density: 1.2±0.1 g/cm3
Boiling Point: 480.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 85.9±6.0 kJ/mol
Flash Point: 183.2±22.2 °C
Index of Refraction: 1.555
Molar Refractivity: 67.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.27
ACD/LogD (pH 5.5): 0.80
ACD/BCF (pH 5.5): 2.38
ACD/KOC (pH 5.5): 64.80
ACD/LogD (pH 7.4): 0.80
ACD/BCF (pH 7.4): 2.38
ACD/KOC (pH 7.4): 64.80
Polar Surface Area: 64 Å2
Polarizability: 26.9±0.5 10-24cm3
Surface Tension: 45.4±5.0 dyne/cm
Molar Volume: 211.3±5.0 cm3

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