ChemSpider 2D Image | Dukunolide C | C28H28O11

Dukunolide C

  • Molecular FormulaC28H28O11
  • Average mass540.515 Da
  • Monoisotopic mass540.163147 Da
  • ChemSpider ID10281046

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(2aR,3aS,5aR,6R,9aR,10R,12bS,12cR)-10-(3-Furyl)-5a,12b-dihydroxy-4,4,9a,12c-tetramethyl-2,5,12-trioxo-2,2a,4,5,5a,6,8,9a,10,12,12b,12c-dodecahydro-9H-benzo[de]oxireno[3,3a][1]benzofuro[6,7-h]isochrome n-6-yl acetate [ACD/IUPAC Name]
(2aR,3aS,5aR,6R,9aR,10R,12bS,12cR)-10-(3-Furyl)-5a,12b-dihydroxy-4,4,9a,12c-tetramethyl-2,5,12-trioxo-2,2a,4,5,5a,6,8,9a,10,12,12b,12c-dodecahydro-9H-benzo[de]oxireno[3,3a][1]benzofuro[6,7-h]isochrome n-6-yl-acetat [German] [ACD/IUPAC Name]
9H-Oxireno[3',4']furo[3',2':7,8]anthra[1,9-cd]pyran-2,5,12(2aH,4H,5aH)-trione, 6-(acetyloxy)-10-(3-furanyl)-6,8,9a,10,12b,12c-hexahydro-5a,12b-dihydroxy-4,4,9a,12c-tetramethyl-, (2aR,3aS,5aR,6R,9aR,10 R,12bS,12cR)- [ACD/Index Name]
Acétate de (2aR,3aS,5aR,6R,9aR,10R,12bS,12cR)-10-(3-furyl)-5a,12b-dihydroxy-4,4,9a,12c-tétraméthyl-2,5,12-trioxo-2,2a,4,5,5a,6,8,9a,10,12,12b,12c-dodécahydro-9H-benzo[de]oxiréno[3,3a][1]benzofuro[6,7- h]isochromén-6-yle [French] [ACD/IUPAC Name]
Dukunolide C

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

Density: 1.6±0.1 g/cm3
Boiling Point: 754.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.4±3.0 kJ/mol
Flash Point: 410.2±32.9 °C
Index of Refraction: 1.658
Molar Refractivity: 127.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 4.23
ACD/LogD (pH 5.5): 3.12
ACD/BCF (pH 5.5): 137.93
ACD/KOC (pH 5.5): 1183.49
ACD/LogD (pH 7.4): 3.12
ACD/BCF (pH 7.4): 137.69
ACD/KOC (pH 7.4): 1181.47
Polar Surface Area: 162 Å2
Polarizability: 50.6±0.5 10-24cm3
Surface Tension: 73.3±5.0 dyne/cm
Molar Volume: 347.0±5.0 cm3

Click to predict properties on the Chemicalize site


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