ChemSpider 2D Image | Methyl 4,5a,7,11,11,13a-hexamethyl-1,5,9-trioxo-1,2a,4,5,5a,6,6a,8,9,11,13,13a,13b,13c-tetradecahydrofuro[4,3,2-ij]pyrano[3',4':5,6]cyclohepta[1,2-g]isochromene-4-carboxylate | C26H32O8

Methyl 4,5a,7,11,11,13a-hexamethyl-1,5,9-trioxo-1,2a,4,5,5a,6,6a,8,9,11,13,13a,13b,13c-tetradecahydrofuro[4,3,2-ij]pyrano[3',4':5,6]cyclohepta[1,2-g]isochromene-4-carboxylate

  • Molecular FormulaC26H32O8
  • Average mass472.527 Da
  • Monoisotopic mass472.209717 Da
  • ChemSpider ID77484145

More details:

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

4,5a,7,11,11,13a-Hexaméthyl-1,5,9-trioxo-1,2a,4,5,5a,6,6a,8,9,11,13,13a,13b,13c-tétradécahydrofuro[4,3,2-ij]pyrano[3',4':5,6]cyclohepta[1,2-g]isochromène-4-carboxylate de méthyle [French] [ACD/IUPAC Name]
Furo[4,3,2-ij]pyrano[3',4':5,6]cyclohepta[1,2-g][2]benzopyran-4-carboxylic acid, 1,2a,4,5,5a,6,6a,8,9,11,13,13a,13b,13c-tetradecahydro-4,5a,7,11,11,13a-hexamethyl-1,5,9-trioxo-, methyl ester [ACD/Index Name]
Methyl 4,5a,7,11,11,13a-hexamethyl-1,5,9-trioxo-1,2a,4,5,5a,6,6a,8,9,11,13,13a,13b,13c-tetradecahydrofuro[4,3,2-ij]pyrano[3',4':5,6]cyclohepta[1,2-g]isochromene-4-carboxylate [ACD/IUPAC Name]
Methyl-4,5a,7,11,11,13a-hexamethyl-1,5,9-trioxo-1,2a,4,5,5a,6,6a,8,9,11,13,13a,13b,13c-tetradecahydrofuro[4,3,2-ij]pyrano[3',4':5,6]cyclohepta[1,2-g]isochromen-4-carboxylat [German] [ACD/IUPAC Name]
Compound NP-000627
Methyl 2,6,6,11,14,16-hexamethyl-8,15,20-trioxo-7,17,19-trioxapentacyclo[12.6.1.02,12.05,10.018,21]henicosa-4,10-diene-16-carboxylate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 641.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.7±3.0 kJ/mol
Flash Point: 274.2±31.5 °C
Index of Refraction: 1.569
Molar Refractivity: 118.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.70
ACD/LogD (pH 5.5): 2.84
ACD/BCF (pH 5.5): 84.17
ACD/KOC (pH 5.5): 831.10
ACD/LogD (pH 7.4): 2.84
ACD/BCF (pH 7.4): 84.17
ACD/KOC (pH 7.4): 831.10
Polar Surface Area: 105 Å2
Polarizability: 47.1±0.5 10-24cm3
Surface Tension: 50.7±5.0 dyne/cm
Molar Volume: 362.5±5.0 cm3

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