ChemSpider 2D Image | methyl (2S,3aR,5aR,6aS,13aS,13bS,13cR)-2,5a,7,11,11,13a-hexamethyl-1,5,9-trioxo-1,2,3a,5a,6,6a,8,9,11,13,13a,13c-dodecahydrofuro[4,3,2-ij]pyrano[4',3':4,5]cyclohepta[1,2-f]isochromene-13b(5H)-carboxylate | C26H32O8

methyl (2S,3aR,5aR,6aS,13aS,13bS,13cR)-2,5a,7,11,11,13a-hexamethyl-1,5,9-trioxo-1,2,3a,5a,6,6a,8,9,11,13,13a,13c-dodecahydrofuro[4,3,2-ij]pyrano[4',3':4,5]cyclohepta[1,2-f]isochromene-13b(5H)-carboxylate

  • Molecular FormulaC26H32O8
  • Average mass472.527 Da
  • Monoisotopic mass472.209717 Da
  • ChemSpider ID23311519

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2S,3aR,5aR,6aS,13aS,13bS,13cR)-2,5a,7,11,11,13a-Hexaméthyl-1,5,9-trioxo-1,2,3a,5a,6,6a,8,9,11,13,13a,13c-dodécahydrofuro[4,3,2-ij]pyrano[4',3':4,5]cyclohepta[1,2-f]isochromène-13b(5H)-carboxylate de méthyle [French] [ACD/IUPAC Name]
Furo[4,3,2-ij]pyrano[4',3':4,5]cyclohepta[1,2-f][2]benzopyran-13b(5H)-carboxylic acid, 1,2,3a,5a,6,6a,8,9,11,13,13a,13c-dodecahydro-2,5a,7,11,11,13a-hexamethyl-1,5,9-trioxo-, methyl ester, (2S,3aR,5aR ,6aS,13aS,13bS,13cR)- [ACD/Index Name]
furo[4,3,2-ij]pyrano[4',3':4,5]cyclohepta[1,2-f][2]benzopyran-13b(5H)-carboxylic acid, 1,2,3a,5a,6,6a,8,9,11,13,13a,13c-dodecahydro-2,5a,7,11,11,13a-hexamethyl-1,5,9-trioxo-, methyl ester, (2S,3aR,5aR,6aS,13aS,13bS,13cR)-
Methyl (2S,3aR,5aR,6aS,13aS,13bS,13cR)-2,5a,7,11,11,13a-hexamethyl-1,5,9-trioxo-1,2,3a,5a,6,6a,8,9,11,13,13a,13c-dodecahydrofuro[4,3,2-ij]pyrano[4',3':4,5]cyclohepta[1,2-f]isochromene-13b(5H)-carboxyl ate [ACD/IUPAC Name]
methyl (2S,3aR,5aR,6aS,13aS,13bS,13cR)-2,5a,7,11,11,13a-hexamethyl-1,5,9-trioxo-1,2,3a,5a,6,6a,8,9,11,13,13a,13c-dodecahydrofuro[4,3,2-ij]pyrano[4',3':4,5]cyclohepta[1,2-f]isochromene-13b(5H)-carboxylate
Methyl-(2S,3aR,5aR,6aS,13aS,13bS,13cR)-2,5a,7,11,11,13a-hexamethyl-1,5,9-trioxo-1,2,3a,5a,6,6a,8,9,11,13,13a,13c-dodecahydrofuro[4,3,2-ij]pyrano[4',3':4,5]cyclohepta[1,2-f]isochromen-13b(5H)-carboxyla t [German] [ACD/IUPAC Name]
berkeleyacetal A

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

Density: 1.3±0.1 g/cm3
Boiling Point: 643.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.0±3.0 kJ/mol
Flash Point: 275.2±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: 2.92
ACD/LogD (pH 5.5): 2.95
ACD/BCF (pH 5.5): 102.11
ACD/KOC (pH 5.5): 954.31
ACD/LogD (pH 7.4): 2.95
ACD/BCF (pH 7.4): 102.11
ACD/KOC (pH 7.4): 954.31
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

Click to predict properties on the Chemicalize site


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