ChemSpider 2D Image | (1E,6E)-1-{3-[(3E)-4-(3,4-Dimethoxyphenyl)-3-buten-2-yl]-4-hydroxy-5-methoxyphenyl}-7-(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione | C33H34O8

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

  • Molecular FormulaC33H34O8
  • Average mass558.618 Da
  • Monoisotopic mass558.225342 Da
  • ChemSpider ID8635808

  • Double-bond stereo - Double-bond stereo

More details:

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

(1E,6E)-1-{3-[(3E)-4-(3,4-Dimethoxyphenyl)-3-buten-2-yl]-4-hydroxy-5-methoxyphenyl}-7-(4-hydroxy-3-methoxyphenyl)-1,6-heptadien-3,5-dion [German] [ACD/IUPAC Name]
(1E,6E)-1-{3-[(3E)-4-(3,4-Dimethoxyphenyl)-3-buten-2-yl]-4-hydroxy-5-methoxyphenyl}-7-(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione [ACD/IUPAC Name]
(1E,6E)-1-{3-[(3E)-4-(3,4-Diméthoxyphényl)-3-butén-2-yl]-4-hydroxy-5-méthoxyphényl}-7-(4-hydroxy-3-méthoxyphényl)-1,6-heptadiène-3,5-dione [French] [ACD/IUPAC Name]
1,6-Heptadiene-3,5-dione, 1-[3-[(2E)-3-(3,4-dimethoxyphenyl)-1-methyl-2-propen-1-yl]-4-hydroxy-5-methoxyphenyl]-7-(4-hydroxy-3-methoxyphenyl)-, (1E,6E)- [ACD/Index Name]
CASSUMUNIN A
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL473041/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 743.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.3±3.0 kJ/mol
Flash Point: 236.8±26.4 °C
Index of Refraction: 1.633
Molar Refractivity: 162.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 5.45
ACD/LogD (pH 5.5): 4.70
ACD/BCF (pH 5.5): 2180.16
ACD/KOC (pH 5.5): 8527.56
ACD/LogD (pH 7.4): 4.58
ACD/BCF (pH 7.4): 1685.55
ACD/KOC (pH 7.4): 6592.94
Polar Surface Area: 112 Å2
Polarizability: 64.4±0.5 10-24cm3
Surface Tension: 49.8±3.0 dyne/cm
Molar Volume: 454.8±3.0 cm3

Click to predict properties on the Chemicalize site


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