ChemSpider 2D Image | gutolactone | C25H32O9

gutolactone

  • Molecular FormulaC25H32O9
  • Average mass476.516 Da
  • Monoisotopic mass476.204620 Da
  • ChemSpider ID29367970

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(1β,11β,12α,13β,15β)-1,11,12-Trihydroxy-2,16-dioxo-13,20-epoxypicras-3-en-15-yl 3-methyl-2-butenoate [ACD/IUPAC Name]
(1β,11β,12α,13β,15β)-1,11,12-Trihydroxy-2,16-dioxo-13,20-epoxypicras-3-en-15-yl-3-methyl-2-butenoat [German] [ACD/IUPAC Name]
152369-48-7 [RN]
2-Butenoic acid, 3-methyl-, (1β,11β,12α,13β,15β)-13,20-epoxy-1,11,12-trihydroxy-2,16-dioxopicras-3-en-15-yl ester [ACD/Index Name]
3-Méthyl-2-buténoate de (1β,11β,12α,13β,15β)-1,11,12-trihydroxy-2,16-dioxo-13,20-époxypicras-3-én-15-yle [French] [ACD/IUPAC Name]
gutolactone
(1β,11β,12α,13β,15β)-1,11,12-trihydroxy-2,16-dioxo-13,20-epoxypicras-3-en-15-yl 3-methylbut-2-enoate
  • Miscellaneous

    • Chemical Class:

      A quassinoid isolated from <ital>Simaba guianensis</ital> and has been shown to exhibit antimalarial activity. ChEBI CHEBI:65989
      A quassinoid isolated from Simaba guianensis and has been shown to exhibit antimalarial activity. ChEBI CHEBI:65989

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

Density: 1.4±0.1 g/cm3
Boiling Point: 689.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 115.6±6.0 kJ/mol
Flash Point: 233.6±25.0 °C
Index of Refraction: 1.610
Molar Refractivity: 117.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.74
ACD/LogD (pH 5.5): 1.20
ACD/BCF (pH 5.5): 4.76
ACD/KOC (pH 5.5): 106.39
ACD/LogD (pH 7.4): 1.20
ACD/BCF (pH 7.4): 4.76
ACD/KOC (pH 7.4): 106.38
Polar Surface Area: 140 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 63.3±5.0 dyne/cm
Molar Volume: 337.6±5.0 cm3

Click to predict properties on the Chemicalize site


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