ChemSpider 2D Image | 11,11-Dimethyl-13-(3-methyl-2-buten-1-yl)-6-(2-methyl-1-propen-1-yl)-7-oxo-6H,7H,11H-chromeno[4,3-b]pyrano[3,2-g]chromene-2,3,8-triyl triacetate | C36H36O10

11,11-Dimethyl-13-(3-methyl-2-buten-1-yl)-6-(2-methyl-1-propen-1-yl)-7-oxo-6H,7H,11H-chromeno[4,3-b]pyrano[3,2-g]chromene-2,3,8-triyl triacetate

  • Molecular FormulaC36H36O10
  • Average mass628.665 Da
  • Monoisotopic mass628.230835 Da
  • ChemSpider ID23339593

More details:

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

11,11-Dimethyl-13-(3-methyl-2-buten-1-yl)-6-(2-methyl-1-propen-1-yl)-7-oxo-6H,7H,11H-chromeno[4,3-b]pyrano[3,2-g]chromen-2,3,8-triyl-triacetat [German] [ACD/IUPAC Name]
11,11-Dimethyl-13-(3-methyl-2-buten-1-yl)-6-(2-methyl-1-propen-1-yl)-7-oxo-6H,7H,11H-chromeno[4,3-b]pyrano[3,2-g]chromene-2,3,8-triyl triacetate [ACD/IUPAC Name]
6H,7H,11H-Pyrano[3',2':6,7][1]benzopyrano[3,2-c][1]benzopyran-7-one, 2,3,8-tris(acetyloxy)-11,11-dimethyl-13-(3-methyl-2-buten-1-yl)-6-(2-methyl-1-propen-1-yl)- [ACD/Index Name]
Triacétate de 11,11-diméthyl-13-(3-méthyl-2-butén-1-yl)-6-(2-méthyl-1-propén-1-yl)-7-oxo-6H,7H,11H-chroméno[4,3-b]pyrano[3,2-g]chromène-2,3,8-triyle [French] [ACD/IUPAC Name]
11,11-dimethyl-13-(3-methylbut-2-en-1-yl)-6-(2-methylprop-1-en-1-yl)-7-oxo-6H,7H,11H-chromeno[4,3-b]pyrano[3,2-g]chromene-2,3,8-triyl triacetate
cycloheterphyllin peracetate
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL504407/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 764.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.3±3.0 kJ/mol
Flash Point: 314.0±32.9 °C
Index of Refraction: 1.615
Molar Refractivity: 166.0±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 7.06
ACD/LogD (pH 5.5): 6.72
ACD/BCF (pH 5.5): 75520.46
ACD/KOC (pH 5.5): 107968.98
ACD/LogD (pH 7.4): 6.72
ACD/BCF (pH 7.4): 75520.46
ACD/KOC (pH 7.4): 107968.98
Polar Surface Area: 124 Å2
Polarizability: 65.8±0.5 10-24cm3
Surface Tension: 57.2±5.0 dyne/cm
Molar Volume: 475.9±5.0 cm3

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