ChemSpider 2D Image | (1R,3R,4R,5S,7R)-8-Hydroxy-4-methyl-3-(2-methylbutanoyl)-1,5,7-tris(3-methyl-2-buten-1-yl)-4-(4-methyl-3-penten-1-yl)-9-oxatricyclo[5.2.1.0~3,8~]decane-2,10-dione | C36H54O5

(1R,3R,4R,5S,7R)-8-Hydroxy-4-methyl-3-(2-methylbutanoyl)-1,5,7-tris(3-methyl-2-buten-1-yl)-4-(4-methyl-3-penten-1-yl)-9-oxatricyclo[5.2.1.03,8]decane-2,10-dione

  • Molecular FormulaC36H54O5
  • Average mass566.811 Da
  • Monoisotopic mass566.397095 Da
  • ChemSpider ID58858909
  • defined stereocentres - 5 of 7 defined stereocentres


More details:






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

(1R,3R,4R,5S,7R)-8-Hydroxy-4-methyl-3-(2-methylbutanoyl)-1,5,7-tris(3-methyl-2-buten-1-yl)-4-(4-methyl-3-penten-1-yl)-9-oxatricyclo[5.2.1.03,8]decan-2,10-dion [German] [ACD/IUPAC Name]
(1R,3R,4R,5S,7R)-8-Hydroxy-4-methyl-3-(2-methylbutanoyl)-1,5,7-tris(3-methyl-2-buten-1-yl)-4-(4-methyl-3-penten-1-yl)-9-oxatricyclo[5.2.1.03,8]decane-2,10-dione [ACD/IUPAC Name]
(1R,3R,4R,5S,7R)-8-Hydroxy-4-méthyl-3-(2-méthylbutanoyl)-1,5,7-tris(3-méthyl-2-butén-1-yl)-4-(4-méthyl-3-pentén-1-yl)-9-oxatricyclo[5.2.1.03,8]décane-2,10-dione [French] [ACD/IUPAC Name]
2,7-Methanobenzofuran-3,8(2H)-dione, hexahydro-7a-hydroxy-4-methyl-2,5,7-tris(3-methyl-2-buten-1-yl)-3a-(2-methyl-1-oxobutyl)-4-(4-methyl-3-penten-1-yl)-, (2R,3aR,4R,5S,7R)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 634.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 107.5±6.0 kJ/mol
Flash Point: 186.5±25.0 °C
Index of Refraction: 1.528
Molar Refractivity: 165.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 12.92
ACD/LogD (pH 5.5): 10.57
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.57
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 81 Å2
Polarizability: 65.6±0.5 10-24cm3
Surface Tension: 39.7±3.0 dyne/cm
Molar Volume: 537.6±3.0 cm3

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