ChemSpider 2D Image | lopholide | C23H26O9

lopholide

  • Molecular FormulaC23H26O9
  • Average mass446.447 Da
  • Monoisotopic mass446.157684 Da
  • ChemSpider ID24692957

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1S,2R,4R,10S,12R,14S,15S)-2-Acétoxy-4-isopropényl-12-méthyl-17-oxo-11,16,18,19-tétraoxapentacyclo[12.2.2.16,9.01,15.010,12]nonadéca-6,8-diène-7-carboxylate de méthyle [French] [ACD/IUPAC Name]
11,16,18,19-Tetraoxapentacyclo[12.2.2.16,9.01,15.010,12]nonadeca-6,8-diene-7-carboxylic acid, 2-(acetyloxy)-12-methyl-4-(1-methylethenyl)-17-oxo-, methyl ester, (1S,2R,4R,10S,12R,14S,15S)- [ACD/Index Name]
lopholide
Methyl (1S,2R,4R,10S,12R,14S,15S)-2-acetoxy-4-isopropenyl-12-methyl-17-oxo-11,16,18,19-tetraoxapentacyclo[12.2.2.16,9.01,15.010,12]nonadeca-6,8-diene-7-carboxylate [ACD/IUPAC Name]
Methyl-(1S,2R,4R,10S,12R,14S,15S)-2-acetoxy-4-isopropenyl-12-methyl-17-oxo-11,16,18,19-tetraoxapentacyclo[12.2.2.16,9.01,15.010,12]nonadeca-6,8-dien-7-carboxylat [German] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL465177/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 606.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.1±3.0 kJ/mol
Flash Point: 320.3±31.5 °C
Index of Refraction: 1.573
Molar Refractivity: 107.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.21
ACD/LogD (pH 5.5): 2.28
ACD/BCF (pH 5.5): 31.61
ACD/KOC (pH 5.5): 412.33
ACD/LogD (pH 7.4): 2.28
ACD/BCF (pH 7.4): 31.61
ACD/KOC (pH 7.4): 412.33
Polar Surface Area: 117 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 53.6±5.0 dyne/cm
Molar Volume: 326.5±5.0 cm3

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