ChemSpider 2D Image | 4-{[(2E)-5-(4'-{[(2E)-6,7-Dihydroxy-3,7-dimethyl-2-octen-1-yl]oxy}-5,5-dimethylspiro[1,3-dioxolane-2,7'-furo[3,2-g]chromen]-4-yl)-3-methyl-2-penten-1-yl]oxy}-7H-furo[3,2-g]chromen-7-one | C42H46O11

4-{[(2E)-5-(4'-{[(2E)-6,7-Dihydroxy-3,7-dimethyl-2-octen-1-yl]oxy}-5,5-dimethylspiro[1,3-dioxolane-2,7'-furo[3,2-g]chromen]-4-yl)-3-methyl-2-penten-1-yl]oxy}-7H-furo[3,2-g]chromen-7-one

  • Molecular FormulaC42H46O11
  • Average mass726.808 Da
  • Monoisotopic mass726.304016 Da
  • ChemSpider ID35014918

  • Double-bond stereo - Double-bond stereo

More details:

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

4-{[(2E)-5-(4'-{[(2E)-6,7-Dihydroxy-3,7-dimethyl-2-octen-1-yl]oxy}-5,5-dimethylspiro[1,3-dioxolane-2,7'-furo[3,2-g]chromen]-4-yl)-3-methyl-2-penten-1-yl]oxy}-7H-furo[3,2-g]chromen-7-one [ACD/IUPAC Name]
7H-Furo[3,2-g][1]benzopyran-7-one, 4-[[(2E)-5-[4'-[[(2E)-6,7-dihydroxy-3,7-dimethyl-2-octen-1-yl]oxy]-5,5-dimethylspiro[1,3-dioxolane-2,7'-[7H]furo[3,2-g][1]benzopyran]-4-yl]-3-methyl-2-penten-1-yl]ox y]- [ACD/Index Name]
5-{[(2E)-5-(5'-{[(2E)-6,7-dihydroxy-3,7-dimethyloct-2-en-1-yl]oxy}-5,5-dimethylspiro[1,3-dioxolane-2,2'-furo[3,2-g]chromene]-4-yl)-3-methylpent-2-en-1-yl]oxy}furo[3,2-g]chromen-2-one
Paradisin C

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

Density: 1.3±0.1 g/cm3
Boiling Point: 864.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.7±3.0 kJ/mol
Flash Point: 476.7±34.3 °C
Index of Refraction: 1.648
Molar Refractivity: 198.6±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 7.46
ACD/LogD (pH 5.5): 7.02
ACD/BCF (pH 5.5): 127140.19
ACD/KOC (pH 5.5): 156755.70
ACD/LogD (pH 7.4): 7.02
ACD/BCF (pH 7.4): 127140.19
ACD/KOC (pH 7.4): 156755.70
Polar Surface Area: 139 Å2
Polarizability: 78.7±0.5 10-24cm3
Surface Tension: 62.3±5.0 dyne/cm
Molar Volume: 545.6±5.0 cm3

Click to predict properties on the Chemicalize site


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