Found 18 results

Search term: MF = 'C_{28}H_{38}O_{14}'
ChemSpider 2D Image | (2S,4aS,6aS,7R,9S,10R,10aR,10bS)-2-(3-Furyl)-7-(beta-D-glucopyranosyloxy)-4a-hydroxy-10b-methyl-4-oxododecahydro-2H-benzo[f]isochromene-9,10-diyl diacetate | C28H38O14

(2S,4aS,6aS,7R,9S,10R,10aR,10bS)-2-(3-Furyl)-7-(β-D-glucopyranosyloxy)-4a-hydroxy-10b-methyl-4-oxododecahydro-2H-benzo[f]isochromene-9,10-diyl diacetate

  • Molecular FormulaC28H38O14
  • Average mass598.593 Da
  • Monoisotopic mass598.226135 Da
  • ChemSpider ID76788792

  • defined stereocentres - 13 of 13 defined stereocentres

More details:

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

(2S,4aS,6aS,7R,9S,10R,10aR,10bS)-2-(3-Furyl)-7-(β-D-glucopyranosyloxy)-4a-hydroxy-10b-methyl-4-oxododecahydro-2H-benzo[f]isochromen-9,10-diyl-diacetat [German] [ACD/IUPAC Name]
(2S,4aS,6aS,7R,9S,10R,10aR,10bS)-2-(3-Furyl)-7-(β-D-glucopyranosyloxy)-4a-hydroxy-10b-methyl-4-oxododecahydro-2H-benzo[f]isochromene-9,10-diyl diacetate [ACD/IUPAC Name]
4H-Naphtho[2,1-c]pyran-4-one, 9,10-bis(acetyloxy)-2-(3-furanyl)-7-(β-D-glucopyranosyloxy)dodecahydro-4a-hydroxy-10b-methyl-, (2S,4aS,6aS,7R,9S,10R,10aR,10bS)- [ACD/Index Name]
Diacétate de (2S,4aS,6aS,7R,9S,10R,10aR,10bS)-2-(3-furyl)-7-(β-D-glucopyranosyloxy)-4a-hydroxy-10b-méthyl-4-oxododécahydro-2H-benzo[f]isochromène-9,10-diyle [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 765.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 117.0±3.0 kJ/mol
Flash Point: 417.0±32.9 °C
Index of Refraction: 1.606
Molar Refractivity: 138.7±0.4 cm3
#H bond acceptors: 14
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -1.51
ACD/LogD (pH 5.5): -0.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.33
ACD/LogD (pH 7.4): -0.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.33
Polar Surface Area: 212 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 72.7±5.0 dyne/cm
Molar Volume: 402.5±5.0 cm3

Click to predict properties on the Chemicalize site


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