ChemSpider 2D Image | (2S,4aR,6aS,7R,9S,10R,10aR,10bS)-2-(3-Furyl)-7-(beta-D-glucopyranosyloxy)-10b-methyl-4-oxododecahydro-2H-benzo[f]isochromene-9,10-diyl diacetate | C28H38O13

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

  • Molecular FormulaC28H38O13
  • Average mass582.594 Da
  • Monoisotopic mass582.231262 Da
  • ChemSpider ID23311266

  • 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)-10b-methyl-4-oxododecahydro-2H-benzo[f]isochromen-9,10-diyl-diacetat [German] [ACD/IUPAC Name]
(2S,4aR,6aS,7R,9S,10R,10aR,10bS)-2-(3-Furyl)-7-(β-D-glucopyranosyloxy)-10b-methyl-4-oxododecahydro-2H-benzo[f]isochromene-9,10-diyl diacetate [ACD/IUPAC Name]
(2S,4aR,6aS,7R,9S,10R,10aR,10bS)-2-(furan-3-yl)-7-(β-D-glucopyranosyloxy)-10b-methyl-4-oxododecahydro-2H-benzo[f]isochromene-9,10-diyl diacetate
4H-Naphtho[2,1-c]pyran-4-one, 9,10-bis(acetyloxy)-2-(3-furanyl)-7-(β-D-glucopyranosyloxy)dodecahydro-10b-methyl-, (2S,4aR,6aS,7R,9S,10R,10aR,10bS)- [ACD/Index Name]
Diacétate de (2S,4aR,6aS,7R,9S,10R,10aR,10bS)-2-(3-furyl)-7-(β-D-glucopyranosyloxy)-10b-méthyl-4-oxododécahydro-2H-benzo[f]isochromène-9,10-diyle [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL399707/
tinosposinenside B

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

Density: 1.4±0.1 g/cm3
Boiling Point: 750.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.8±3.0 kJ/mol
Flash Point: 407.8±32.9 °C
Index of Refraction: 1.592
Molar Refractivity: 137.1±0.4 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -0.88
ACD/LogD (pH 5.5): -0.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 17.89
ACD/LogD (pH 7.4): -0.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 17.89
Polar Surface Area: 191 Å2
Polarizability: 54.4±0.5 10-24cm3
Surface Tension: 66.9±5.0 dyne/cm
Molar Volume: 405.5±5.0 cm3

Click to predict properties on the Chemicalize site


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