ChemSpider 2D Image | illicidione B | C29H36O8

illicidione B

  • Molecular FormulaC29H36O8
  • Average mass512.591 Da
  • Monoisotopic mass512.241028 Da
  • ChemSpider ID26341636

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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(2R,3aR,2'R,3a'R)-7,7'-Methylenbis[5-allyl-3a-hydroxy-2-(2-hydroxy-2-propanyl)-3,3a-dihydro-1-benzofuran-6(2H)-on] [German] [ACD/IUPAC Name]
(2R,3aR,2'R,3a'R)-7,7'-Methylenebis[5-allyl-3a-hydroxy-2-(2-hydroxy-2-propanyl)-3,3a-dihydro-1-benzofuran-6(2H)-one] [ACD/IUPAC Name]
(2R,3aR,2'R,3a'R)-7,7'-Méthylènebis[5-allyl-3a-hydroxy-2-(2-hydroxy-2-propanyl)-3,3a-dihydro-1-benzofuran-6(2H)-one] [French] [ACD/IUPAC Name]
6(2H)-Benzofuranone, 7,7'-methylenebis[3,3a-dihydro-3a-hydroxy-2-(1-hydroxy-1-methylethyl)-5-(2-propen-1-yl)-, (2R,3aR,2'R,3'aR)- [ACD/Index Name]
illicidione B

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

Density: 1.3±0.1 g/cm3
Boiling Point: 709.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 118.6±6.0 kJ/mol
Flash Point: 231.8±26.4 °C
Index of Refraction: 1.616
Molar Refractivity: 135.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 1.81
ACD/LogD (pH 5.5): 1.95
ACD/BCF (pH 5.5): 17.89
ACD/KOC (pH 5.5): 274.34
ACD/LogD (pH 7.4): 1.95
ACD/BCF (pH 7.4): 17.89
ACD/KOC (pH 7.4): 274.34
Polar Surface Area: 134 Å2
Polarizability: 53.8±0.5 10-24cm3
Surface Tension: 59.8±5.0 dyne/cm
Molar Volume: 388.6±5.0 cm3

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