ChemSpider 2D Image | 5-Hydroxy-2,3,10,11,12-pentamethoxy-6,7-dimethyl-5,6,7,8-tetrahydrodibenzo[a,c][8]annulen-1-yl benzoate | C30H34O8

5-Hydroxy-2,3,10,11,12-pentamethoxy-6,7-dimethyl-5,6,7,8-tetrahydrodibenzo[a,c][8]annulen-1-yl benzoate

  • Molecular FormulaC30H34O8
  • Average mass522.586 Da
  • Monoisotopic mass522.225342 Da
  • ChemSpider ID24628302

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

5-Hydroxy-2,3,10,11,12-pentamethoxy-6,7-dimethyl-5,6,7,8-tetrahydrodibenzo[a,c][8]annulen-1-yl benzoate [ACD/IUPAC Name]
5-Hydroxy-2,3,10,11,12-pentamethoxy-6,7-dimethyl-5,6,7,8-tetrahydrodibenzo[a,c][8]annulen-1-yl-benzoat [German] [ACD/IUPAC Name]
Benzoate de 5-hydroxy-2,3,10,11,12-pentaméthoxy-6,7-diméthyl-5,6,7,8-tétrahydrodibenzo[a,c][8]annulén-1-yle [French] [ACD/IUPAC Name]
Dibenzo[a,c]cyclooctene-1,5-diol, 5,6,7,8-tetrahydro-2,3,10,11,12-pentamethoxy-6,7-dimethyl-, 1-benzoate [ACD/Index Name]
tiegusanin C

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

Density: 1.2±0.1 g/cm3
Boiling Point: 696.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.1±3.0 kJ/mol
Flash Point: 225.9±25.0 °C
Index of Refraction: 1.564
Molar Refractivity: 143.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.29
ACD/LogD (pH 5.5): 5.59
ACD/BCF (pH 5.5): 10528.27
ACD/KOC (pH 5.5): 26350.70
ACD/LogD (pH 7.4): 5.59
ACD/BCF (pH 7.4): 10528.27
ACD/KOC (pH 7.4): 26350.70
Polar Surface Area: 93 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 40.2±3.0 dyne/cm
Molar Volume: 441.9±3.0 cm3

Click to predict properties on the Chemicalize site


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