ChemSpider 2D Image | 4-{3-Benzoyl-5-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-2,4,6-trihydroxybenzyl}-3,5-dihydroxy-2-isobutyryl-6,6-dimethyl-2,4-cyclohexadien-1-one | C36H42O8

4-{3-Benzoyl-5-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-2,4,6-trihydroxybenzyl}-3,5-dihydroxy-2-isobutyryl-6,6-dimethyl-2,4-cyclohexadien-1-one

  • Molecular FormulaC36H42O8
  • Average mass602.714 Da
  • Monoisotopic mass602.287964 Da
  • ChemSpider ID4943723

  • Double-bond stereo - Double-bond stereo

More details:

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

2,4-Cyclohexadien-1-one, 4-[[3-benzoyl-5-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-2,4,6-trihydroxyphenyl]methyl]-3,5-dihydroxy-6,6-dimethyl-2-(2-methyl-1-oxopropyl)- [ACD/Index Name]
4-{3-Benzoyl-5-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-2,4,6-trihydroxybenzyl}-3,5-dihydroxy-2-isobutyryl-6,6-dimethyl-2,4-cyclohexadien-1-on [German] [ACD/IUPAC Name]
4-{3-Benzoyl-5-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-2,4,6-trihydroxybenzyl}-3,5-dihydroxy-2-isobutyryl-6,6-dimethyl-2,4-cyclohexadien-1-one [ACD/IUPAC Name]
4-{3-Benzoyl-5-[(2E)-3,7-diméthyl-2,6-octadién-1-yl]-2,4,6-trihydroxybenzyl}-3,5-dihydroxy-2-isobutyryl-6,6-diméthyl-2,4-cyclohexadién-1-one [French] [ACD/IUPAC Name]
130756-15-9 [RN]
2,5-Cyclohexadien-1-one, 2-((3-benzoyl-5-(3,7-dimethyl-2,6-octadienyl)-2,4,6-trihydroxyphenyl)methyl)-3,5-dihydroxy-4,4-dimethyl-6-(2-methyl-1-oxopropyl)-, (E)-
4-({3-BENZOYL-5-[(2E)-3,7-DIMETHYLOCTA-2,6-DIEN-1-YL]-2,4,6-TRIHYDROXYPHENYL}METHYL)-3,5-DIHYDROXY-6,6-DIMETHYL-2-(2-METHYLPROPANOYL)CYCLOHEXA-2,4-DIEN-1-ONE
Sarothralin G

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

Density: 1.3±0.1 g/cm3
Boiling Point: 755.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.5±3.0 kJ/mol
Flash Point: 424.8±29.4 °C
Index of Refraction: 1.618
Molar Refractivity: 168.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 8.62
ACD/LogD (pH 5.5): 5.75
ACD/BCF (pH 5.5): 6028.23
ACD/KOC (pH 5.5): 6663.84
ACD/LogD (pH 7.4): 3.67
ACD/BCF (pH 7.4): 50.03
ACD/KOC (pH 7.4): 55.31
Polar Surface Area: 152 Å2
Polarizability: 67.0±0.5 10-24cm3
Surface Tension: 56.9±3.0 dyne/cm
Molar Volume: 481.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement