ChemSpider 2D Image | (-)-Englerin A | C26H34O6

(-)-Englerin A

  • Molecular FormulaC26H34O6
  • Average mass442.545 Da
  • Monoisotopic mass442.235535 Da
  • ChemSpider ID24582021

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

Featured data source
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(-)-Englerin A
(1S,2R,5R,6R,7S,8R,10R)-10-(Glycoloyloxy)-8-isopropyl-1,5-dimethyl-11-oxatricyclo[6.2.1.02,6]undec-7-yl (2E)-3-phenylacrylate [ACD/IUPAC Name]
(1S,2R,5R,6R,7S,8R,10R)-10-(Glycoloyloxy)-8-isopropyl-1,5-dimethyl-11-oxatricyclo[6.2.1.02,6]undec-7-yl-(2E)-3-phenylacrylat [German] [ACD/IUPAC Name]
(2E)-3-Phénylacrylate de (1S,2R,5R,6R,7S,8R,10R)-10-(2-hydroxyacétoxy)-8-isopropyl-1,5-diméthyl-11-oxatricyclo[6.2.1.02,6]undéc-7-yle [French] [ACD/IUPAC Name]
2-Propenoic acid, 3-phenyl-, (1R,3aR,4S,5R,7R,8S,8aR)-decahydro-5-[(2-hydroxyacetyl)oxy]-1,4-dimethyl-7-(1-methylethyl)-4,7-epoxyazulen-8-yl ester, (2E)- [ACD/Index Name]
Englerin A
(1R,3aR,4S,5R,7R,8S,8aR)-5-(glycoloyloxy)-7-isopropyl-1,4-dimethyldecahydro-4,7-epoxyazulen-8-yl (2E)-3-phenylacrylate
[(1S,2R,5R,6R,7S,8R,10R)-10-(2-hydroxyacetyl)oxy-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-7-yl] (E)-3-phenylprop-2-enoate
1094250-15-3 [RN]
NSC#746861
  • Miscellaneous

    • Chemical Class:

      A guaiane sesquiterpenoid that is isolated from the bark of <ital>Phyllanthus engleri</ital>, a plant native to Tanzania and Zimbabwe. It acts as a potent and specific inhibitor of renal cancer cell g rowth. ChEBI CHEBI:72441
      A guaiane sesquiterpenoid that is isolated from the bark of Phyllanthus engleri, a plant native to Tanzania and Zimbabwe. It acts as a potent and specific inhibitor of renal cancer cell g; rowth. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:72441
      A guaiane sesquiterpenoid that is isolated from the bark of Phyllanthus engleri, a plant native to Tanzania and Zimbabwe. It acts as a potent and specific inhibitor of renal cancer cell growth. ChEBI CHEBI:72441

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

Density: 1.2±0.1 g/cm3
Boiling Point: 550.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.4±3.0 kJ/mol
Flash Point: 178.8±23.6 °C
Index of Refraction: 1.568
Molar Refractivity: 120.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.66
ACD/LogD (pH 5.5): 4.66
ACD/BCF (pH 5.5): 2064.87
ACD/KOC (pH 5.5): 8211.00
ACD/LogD (pH 7.4): 4.66
ACD/BCF (pH 7.4): 2064.86
ACD/KOC (pH 7.4): 8210.98
Polar Surface Area: 82 Å2
Polarizability: 47.6±0.5 10-24cm3
Surface Tension: 49.3±5.0 dyne/cm
Molar Volume: 367.1±5.0 cm3

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