ChemSpider 2D Image | phelligridin G | C32H18O12

phelligridin G

  • Molecular FormulaC32H18O12
  • Average mass594.478 Da
  • Monoisotopic mass594.079834 Da
  • ChemSpider ID9619594

  • Double-bond stereo - Double-bond stereo

More details:

Featured data source
Natural Product Updates

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1H,6H-Pyrano[4,3-c][2]benzopyran-1,6-dione, 3-[5-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-5',6'-dihydroxy-3-oxospiro[furan-2(3H),1'-[1H]inden]-2'-yl]-8,9-dihydroxy- [ACD/Index Name]
3-{5-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-5',6'-dihydroxy-3-oxo-3H-spiro[furan-2,1'-inden]-2'-yl}-8,9-dihydroxy-1H,6H-pyrano[4,3-c]isochromene-1,6-dione
3-{5-[(E)-2-(3,4-Dihydroxyphenyl)vinyl]-5',6'-dihydroxy-3-oxo-3H-spiro[furan-2,1'-inden]-2'-yl}-8,9-dihydroxy-1H,6H-pyrano[4,3-c]isochromen-1,6-dion [German] [ACD/IUPAC Name]
3-{5-[(E)-2-(3,4-Dihydroxyphenyl)vinyl]-5',6'-dihydroxy-3-oxo-3H-spiro[furan-2,1'-inden]-2'-yl}-8,9-dihydroxy-1H,6H-pyrano[4,3-c]isochromene-1,6-dione [ACD/IUPAC Name]
3-{5-[(E)-2-(3,4-Dihydroxyphényl)vinyl]-5',6'-dihydroxy-3-oxo-3H-spiro[furan-2,1'-inden]-2'-yl}-8,9-dihydroxy-1H,6H-pyrano[4,3-c]isochromène-1,6-dione [French] [ACD/IUPAC Name]
phelligridin G
(±)-phelligridin G
5-{5-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-5',6'-dihydroxy-3-oxo-3H-spiro[furan-2,1'-indene]-2'-yl}-12,13-dihydroxy-4,8-dioxatricyclo[8.4.0.02,7]tetradeca-1(10),2(7),5,11,13-pentaene-3,9-dione
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL391772/

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

Density: 1.9±0.1 g/cm3
Boiling Point: 1067.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 161.8±3.0 kJ/mol
Flash Point: 355.0±27.8 °C
Index of Refraction: 1.891
Molar Refractivity: 146.0±0.4 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 3
ACD/LogP: 3.20
ACD/LogD (pH 5.5): 2.35
ACD/BCF (pH 5.5): 35.76
ACD/KOC (pH 5.5): 446.52
ACD/LogD (pH 7.4): 1.83
ACD/BCF (pH 7.4): 10.83
ACD/KOC (pH 7.4): 135.29
Polar Surface Area: 200 Å2
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 133.5±5.0 dyne/cm
Molar Volume: 316.1±5.0 cm3

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