ChemSpider 2D Image | Scupontin G | C34H36O9

Scupontin G

  • Molecular FormulaC34H36O9
  • Average mass588.644 Da
  • Monoisotopic mass588.235962 Da
  • ChemSpider ID8683006

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(2R,3aR,4R,5S,6R,6aR,9aR,9bS)-2,4-Dihydroxy-3a,4,6a-trimethyl-7-methylen-2-(5-oxo-2,5-dihydro-3-furanyl)dodecahydrobenzo[de]chromen-5,6-diyl-dibenzoat [German] [ACD/IUPAC Name]
(2R,3aR,4R,5S,6R,6aR,9aR,9bS)-2,4-Dihydroxy-3a,4,6a-trimethyl-7-methylene-2-(5-oxo-2,5-dihydro-3-furanyl)dodecahydrobenzo[de]chromene-5,6-diyl dibenzoate [ACD/IUPAC Name]
2(5H)-Furanone, 4-[(2R,3aR,4R,5S,6R,6aR,9aR,9bS)-5,6-bis(benzoyloxy)dodecahydro-2,4-dihydroxy-3a,4,6a-trimethyl-7-methylenenaphtho[1,8-bc]pyran-2-yl]- [ACD/Index Name]
Dibenzoate de (2R,3aR,4R,5S,6R,6aR,9aR,9bS)-2,4-dihydroxy-3a,4,6a-triméthyl-7-méthylène-2-(5-oxo-2,5-dihydro-3-furanyl)dodécahydrobenzo[de]chromène-5,6-diyle [French] [ACD/IUPAC Name]
Scupontin G

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

Density: 1.4±0.1 g/cm3
Boiling Point: 759.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.1±3.0 kJ/mol
Flash Point: 242.4±26.4 °C
Index of Refraction: 1.633
Molar Refractivity: 154.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.67
ACD/LogD (pH 5.5): 5.14
ACD/BCF (pH 5.5): 4728.31
ACD/KOC (pH 5.5): 14857.54
ACD/LogD (pH 7.4): 5.14
ACD/BCF (pH 7.4): 4726.98
ACD/KOC (pH 7.4): 14853.37
Polar Surface Area: 129 Å2
Polarizability: 61.3±0.5 10-24cm3
Surface Tension: 62.5±5.0 dyne/cm
Molar Volume: 433.2±5.0 cm3

Click to predict properties on the Chemicalize site


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