ChemSpider 2D Image | Methyl (10xi,11beta,12alpha,13beta,15beta)-15-acetoxy-3,11,12-trihydroxy-2,16-dioxo-13,20-epoxypicras-3-en-21-oate | C23H28O11

Methyl (10ξ,11β,12α,13β,15β)-15-acetoxy-3,11,12-trihydroxy-2,16-dioxo-13,20-epoxypicras-3-en-21-oate

  • Molecular FormulaC23H28O11
  • Average mass480.462 Da
  • Monoisotopic mass480.163147 Da
  • ChemSpider ID58816907

  • defined stereocentres - 9 of 10 defined stereocentres

More details:

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

(10ξ,11β,12α,13β,15β)-15-Acétoxy-3,11,12-trihydroxy-2,16-dioxo-13,20-époxypicras-3-én-21-oate de méthyle [French] [ACD/IUPAC Name]
Methyl (10ξ,11β,12α,13β,15β)-15-acetoxy-3,11,12-trihydroxy-2,16-dioxo-13,20-epoxypicras-3-en-21-oate [ACD/IUPAC Name]
Methyl-(10ξ,11β,12α,13β,15β)-15-acetoxy-3,11,12-trihydroxy-2,16-dioxo-13,20-epoxypicras-3-en-21-oat [German] [ACD/IUPAC Name]
Picras-3-en-21-oic acid, 15-(acetyloxy)-13,20-epoxy-3,11,12-trihydroxy-2,16-dioxo-, methyl ester, (10ξ,11β,12α,13β,15β)- [ACD/Index Name]
25514-29-8 [RN]
bruceine B

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

Density: 1.5±0.1 g/cm3
Boiling Point: 701.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 117.4±6.0 kJ/mol
Flash Point: 241.4±26.4 °C
Index of Refraction: 1.615
Molar Refractivity: 109.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 0.39
ACD/LogD (pH 5.5): 0.60
ACD/BCF (pH 5.5): 1.68
ACD/KOC (pH 5.5): 50.44
ACD/LogD (pH 7.4): 0.58
ACD/BCF (pH 7.4): 1.62
ACD/KOC (pH 7.4): 48.66
Polar Surface Area: 166 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 70.9±5.0 dyne/cm
Molar Volume: 314.2±5.0 cm3

Click to predict properties on the Chemicalize site


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