ChemSpider 2D Image | 13-Hydroxy-1,1,5a,7a,9,11b-hexamethyl-7-methylene-3,8,11-trioxohexadecahydro-1H-isochromeno[7,8-g][2]benzoxepine-5,12-diyl diacetate | C28H38O10

13-Hydroxy-1,1,5a,7a,9,11b-hexamethyl-7-methylene-3,8,11-trioxohexadecahydro-1H-isochromeno[7,8-g][2]benzoxepine-5,12-diyl diacetate

  • Molecular FormulaC28H38O10
  • Average mass534.595 Da
  • Monoisotopic mass534.246521 Da
  • ChemSpider ID22943154

More details:

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

13-Hydroxy-1,1,5a,7a,9,11b-hexamethyl-7-methylen-3,8,11-trioxohexadecahydro-1H-isochromeno[7,8-g][2]benzoxepin-5,12-diyl-diacetat [German] [ACD/IUPAC Name]
13-Hydroxy-1,1,5a,7a,9,11b-hexamethyl-7-methylene-3,8,11-trioxohexadecahydro-1H-isochromeno[7,8-g][2]benzoxepine-5,12-diyl diacetate [ACD/IUPAC Name]
1H-Pyrano[3',4':5,6]naphth[2,1-c]oxepin-3,8,11(9H)-trione, 5,12-bis(acetyloxy)dodecahydro-13-hydroxy-1,1,5a,7a,9,11b-hexamethyl-7-methylene- [ACD/Index Name]
Diacétate de 13-hydroxy-1,1,5a,7a,9,11b-hexaméthyl-7-méthylène-3,8,11-trioxohexadécahydro-1H-isochroméno[7,8-g][2]benzoxépine-5,12-diyle [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 657.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 110.8±6.0 kJ/mol
Flash Point: 210.8±25.0 °C
Index of Refraction: 1.544
Molar Refractivity: 132.0±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 1.25
ACD/LogD (pH 5.5): 1.95
ACD/BCF (pH 5.5): 17.73
ACD/KOC (pH 5.5): 272.52
ACD/LogD (pH 7.4): 1.95
ACD/BCF (pH 7.4): 17.73
ACD/KOC (pH 7.4): 272.51
Polar Surface Area: 143 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 50.4±5.0 dyne/cm
Molar Volume: 418.2±5.0 cm3

Click to predict properties on the Chemicalize site


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