ChemSpider 2D Image | (1E,6E)-1-(4-Hydroxy-3-methoxyphenyl)-7-{4-hydroxy-3-methoxy-5-[(3E)-4-(2,4,5-trimethoxyphenyl)-3-buten-2-yl]phenyl}-1,6-heptadiene-3,5-dione | C34H36O9

(1E,6E)-1-(4-Hydroxy-3-methoxyphenyl)-7-{4-hydroxy-3-methoxy-5-[(3E)-4-(2,4,5-trimethoxyphenyl)-3-buten-2-yl]phenyl}-1,6-heptadiene-3,5-dione

  • Molecular FormulaC34H36O9
  • Average mass588.644 Da
  • Monoisotopic mass588.235962 Da
  • ChemSpider ID8229669

  • Double-bond stereo - Double-bond stereo

More details:

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

(1E,6E)-1-(4-Hydroxy-3-methoxyphenyl)-7-{4-hydroxy-3-methoxy-5-[(3E)-4-(2,4,5-trimethoxyphenyl)-3-buten-2-yl]phenyl}-1,6-heptadien-3,5-dion [German] [ACD/IUPAC Name]
(1E,6E)-1-(4-Hydroxy-3-methoxyphenyl)-7-{4-hydroxy-3-methoxy-5-[(3E)-4-(2,4,5-trimethoxyphenyl)-3-buten-2-yl]phenyl}-1,6-heptadiene-3,5-dione [ACD/IUPAC Name]
(1E,6E)-1-(4-Hydroxy-3-méthoxyphényl)-7-{4-hydroxy-3-méthoxy-5-[(3E)-4-(2,4,5-triméthoxyphényl)-3-butén-2-yl]phényl}-1,6-heptadiène-3,5-dione [French] [ACD/IUPAC Name]
1,6-Heptadiene-3,5-dione, 1-[4-hydroxy-3-methoxy-5-[(2E)-1-methyl-3-(2,4,5-trimethoxyphenyl)-2-propen-1-yl]phenyl]-7-(4-hydroxy-3-methoxyphenyl)-, (1E,6E)- [ACD/Index Name]
CASSUMUNIN B
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL450047/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 772.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.4±3.0 kJ/mol
Flash Point: 243.6±26.4 °C
Index of Refraction: 1.624
Molar Refractivity: 169.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 5.38
ACD/LogD (pH 5.5): 4.77
ACD/BCF (pH 5.5): 2496.15
ACD/KOC (pH 5.5): 9395.05
ACD/LogD (pH 7.4): 4.66
ACD/BCF (pH 7.4): 1927.77
ACD/KOC (pH 7.4): 7255.77
Polar Surface Area: 121 Å2
Polarizability: 67.0±0.5 10-24cm3
Surface Tension: 48.7±3.0 dyne/cm
Molar Volume: 478.8±3.0 cm3

Click to predict properties on the Chemicalize site


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