ChemSpider 2D Image | 8-(2-Hydroxy-5-oxo-2,5-dihydro-3-furanyl)-1,1,5a,7a,11b-pentamethyl-5b,6,7,7a,8,11b,13,13a-octahydrooxireno[4,4a]isochromeno[6,5-g][2]benzoxepine-3,10,12(1H,5aH,10aH)-trione | C26H30O9

8-(2-Hydroxy-5-oxo-2,5-dihydro-3-furanyl)-1,1,5a,7a,11b-pentamethyl-5b,6,7,7a,8,11b,13,13a-octahydrooxireno[4,4a]isochromeno[6,5-g][2]benzoxepine-3,10,12(1H,5aH,10aH)-trione

  • Molecular FormulaC26H30O9
  • Average mass486.511 Da
  • Monoisotopic mass486.188995 Da
  • ChemSpider ID29814995

More details:

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

8-(2-Hydroxy-5-oxo-2,5-dihydro-3-furanyl)-1,1,5a,7a,11b-pentamethyl-5b,6,7,7a,8,11b,13,13a-octahydrooxireno[4,4a]isochromeno[6,5-g][2]benzoxepin-3,10,12(1H,5aH,10aH)-trion [German] [ACD/IUPAC Name]
8-(2-Hydroxy-5-oxo-2,5-dihydro-3-furanyl)-1,1,5a,7a,11b-pentamethyl-5b,6,7,7a,8,11b,13,13a-octahydrooxireno[4,4a]isochromeno[6,5-g][2]benzoxepine-3,10,12(1H,5aH,10aH)-trione [ACD/IUPAC Name]
8-(2-Hydroxy-5-oxo-2,5-dihydro-3-furanyl)-1,1,5a,7a,11b-pentaméthyl-5b,6,7,7a,8,11b,13,13a-octahydrooxiréno[4,4a]isochroméno[6,5-g][2]benzoxépine-3,10,12(1H,5aH,10aH)-trione [French] [ACD/IUPAC Name]
Oxireno[4',5']pyrano[4',3':5,6]naphth[2,1-c]oxepin-3,10,12(1H,5aH,10aH)-trione, 8-(2,5-dihydro-2-hydroxy-5-oxo-3-furanyl)-5b,6,7,7a,8,11b,13,13a-octahydro-1,1,5a,7a,11b-pentamethyl- [ACD/Index Name]
125276-62-2 [RN]
Kihadanin A

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

Density: 1.4±0.1 g/cm3
Boiling Point: 736.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 122.7±6.0 kJ/mol
Flash Point: 251.1±26.4 °C
Index of Refraction: 1.610
Molar Refractivity: 118.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.32
ACD/LogD (pH 5.5): 0.63
ACD/BCF (pH 5.5): 1.77
ACD/KOC (pH 5.5): 52.44
ACD/LogD (pH 7.4): 0.63
ACD/BCF (pH 7.4): 1.76
ACD/KOC (pH 7.4): 52.17
Polar Surface Area: 129 Å2
Polarizability: 47.0±0.5 10-24cm3
Surface Tension: 61.0±5.0 dyne/cm
Molar Volume: 342.3±5.0 cm3

Click to predict properties on the Chemicalize site


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