ChemSpider 2D Image | (1S,2R,4S,9R,10R,11R,14R,19R)-9,19-Diallyl-9,14,19-trihydroxy-4-(2-hydroxy-2-propanyl)-15,15-dimethyl-5,16-dioxapentacyclo[9.6.2.0~2,6~.0~2,10~.0~12,17~]nonadeca-6,12(17)-diene-8,18-dione | C28H36O8

(1S,2R,4S,9R,10R,11R,14R,19R)-9,19-Diallyl-9,14,19-trihydroxy-4-(2-hydroxy-2-propanyl)-15,15-dimethyl-5,16-dioxapentacyclo[9.6.2.02,6.02,10.012,17]nonadeca-6,12(17)-diene-8,18-dione

  • Molecular FormulaC28H36O8
  • Average mass500.581 Da
  • Monoisotopic mass500.241028 Da
  • ChemSpider ID26334182

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1S,2R,4S,9R,10R,11R,14R,19R)-9,19-Diallyl-9,14,19-trihydroxy-4-(2-hydroxy-2-propanyl)-15,15-dimethyl-5,16-dioxapentacyclo[9.6.2.02,6.02,10.012,17]nonadeca-6,12(17)-dien-8,18-dion [German] [ACD/IUPAC Name]
(1S,2R,4S,9R,10R,11R,14R,19R)-9,19-Diallyl-9,14,19-trihydroxy-4-(2-hydroxy-2-propanyl)-15,15-dimethyl-5,16-dioxapentacyclo[9.6.2.02,6.02,10.012,17]nonadeca-6,12(17)-diene-8,18-dione [ACD/IUPAC Name]
(1S,2R,4S,9R,10R,11R,14R,19R)-9,19-Diallyl-9,14,19-trihydroxy-4-(2-hydroxy-2-propanyl)-15,15-diméthyl-5,16-dioxapentacyclo[9.6.2.02,6.02,10.012,17]nonadéca-6,12(17)-diène-8,18-dione [French] [ACD/IUPAC Name]
7,12-Ethanofuro[2',3':8,8a]naphtho[2,3-b]pyran-5,13(6H)-dione, 1,2,6a,7,8,9,10,12-octahydro-6,9,14-trihydroxy-2-(1-hydroxy-1-methylethyl)-10,10-dimethyl-6,14-di-2-propen-1-yl-, (2S,6R,6aR,7R,9R,12S,12 aR,14R)- [ACD/Index Name]
Illicidione A

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

Density: 1.4±0.1 g/cm3
Boiling Point: 699.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 117.1±6.0 kJ/mol
Flash Point: 231.1±25.0 °C
Index of Refraction: 1.620
Molar Refractivity: 129.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 0.61
ACD/LogD (pH 5.5): 1.51
ACD/BCF (pH 5.5): 8.33
ACD/KOC (pH 5.5): 158.77
ACD/LogD (pH 7.4): 1.51
ACD/BCF (pH 7.4): 8.33
ACD/KOC (pH 7.4): 158.75
Polar Surface Area: 134 Å2
Polarizability: 51.5±0.5 10-24cm3
Surface Tension: 61.9±5.0 dyne/cm
Molar Volume: 369.7±5.0 cm3

Click to predict properties on the Chemicalize site


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