ChemSpider 2D Image | (2S,4aR,6aS,7R,9S,10R,10aR,10bS)-2-(3-Furyl)-7-(beta-D-glucopyranosyloxy)-9-hydroxy-10b-methyl-4-oxododecahydro-2H-benzo[f]isochromen-10-yl acetate | C26H36O12

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

  • Molecular FormulaC26H36O12
  • Average mass540.557 Da
  • Monoisotopic mass540.220703 Da
  • ChemSpider ID23311267

  • defined stereocentres - 13 of 13 defined stereocentres

More details:

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

(2S,4aR,6aS,7R,9S,10R,10aR,10bS)-2-(3-Furyl)-7-(β-D-glucopyranosyloxy)-9-hydroxy-10b-methyl-4-oxododecahydro-2H-benzo[f]isochromen-10-yl acetate [ACD/IUPAC Name]
(2S,4aR,6aS,7R,9S,10R,10aR,10bS)-2-(3-Furyl)-7-(β-D-glucopyranosyloxy)-9-hydroxy-10b-methyl-4-oxododecahydro-2H-benzo[f]isochromen-10-yl-acetat [German] [ACD/IUPAC Name]
(2S,4aR,6aS,7R,9S,10R,10aR,10bS)-2-(furan-3-yl)-7-(β-D-glucopyranosyloxy)-9-hydroxy-10b-methyl-4-oxododecahydro-2H-benzo[f]isochromen-10-yl acetate
4H-Naphtho[2,1-c]pyran-4-one, 10-(acetyloxy)-2-(3-furanyl)-7-(β-D-glucopyranosyloxy)dodecahydro-9-hydroxy-10b-methyl-, (2S,4aR,6aS,7R,9S,10R,10aR,10bS)- [ACD/Index Name]
Acétate de (2S,4aR,6aS,7R,9S,10R,10aR,10bS)-2-(3-furyl)-7-(β-D-glucopyranosyloxy)-9-hydroxy-10b-méthyl-4-oxododécahydro-2H-benzo[f]isochromén-10-yle [French] [ACD/IUPAC Name]
tinosposinenside C

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

Density: 1.5±0.1 g/cm3
Boiling Point: 748.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.5±3.0 kJ/mol
Flash Point: 406.4±32.9 °C
Index of Refraction: 1.610
Molar Refractivity: 127.6±0.4 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: -2.05
ACD/LogD (pH 5.5): -1.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.37
ACD/LogD (pH 7.4): -1.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.37
Polar Surface Area: 185 Å2
Polarizability: 50.6±0.5 10-24cm3
Surface Tension: 71.9±5.0 dyne/cm
Molar Volume: 367.9±5.0 cm3

Click to predict properties on the Chemicalize site


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