ChemSpider 2D Image | [(2S,4aR,6aS,7R,9S,10aS,10bR)-9-Acetoxy-2-(3-furyl)-6a,10b-dimethyl-4,10-dioxododecahydro-2H-benzo[f]isochromen-7-yl]methyl (2-methoxyethoxy)acetate | C27H36O10

[(2S,4aR,6aS,7R,9S,10aS,10bR)-9-Acetoxy-2-(3-furyl)-6a,10b-dimethyl-4,10-dioxododecahydro-2H-benzo[f]isochromen-7-yl]methyl (2-methoxyethoxy)acetate

  • Molecular FormulaC27H36O10
  • Average mass520.569 Da
  • Monoisotopic mass520.230835 Da
  • ChemSpider ID23278924

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2-Méthoxyéthoxy)acétate de [(2S,4aR,6aS,7R,9S,10aS,10bR)-9-acétoxy-2-(3-furyl)-6a,10b-diméthyl-4,10-dioxododécahydro-2H-benzo[f]isochromén-7-yl]méthyle [French] [ACD/IUPAC Name]
[(2S,4aR,6aS,7R,9S,10aS,10bR)-9-(acetyloxy)-2-(furan-3-yl)-6a,10b-dimethyl-4,10-dioxododecahydro-2H-benzo[f]isochromen-7-yl]methyl (2-methoxyethoxy)acetate
[(2S,4aR,6aS,7R,9S,10aS,10bR)-9-Acetoxy-2-(3-furyl)-6a,10b-dimethyl-4,10-dioxododecahydro-2H-benzo[f]isochromen-7-yl]methyl (2-methoxyethoxy)acetate [ACD/IUPAC Name]
[(2S,4aR,6aS,7R,9S,10aS,10bR)-9-Acetoxy-2-(3-furyl)-6a,10b-dimethyl-4,10-dioxododecahydro-2H-benzo[f]isochromen-7-yl]methyl-(2-methoxyethoxy)acetat [German] [ACD/IUPAC Name]
Acetic acid, 2-(2-methoxyethoxy)-, [(2S,4aR,6aS,7R,9S,10aS,10bR)-9-(acetyloxy)-2-(3-furanyl)dodecahydro-6a,10b-dimethyl-4,10-dioxo-2H-naphtho[2,1-c]pyran-7-yl]methyl ester [ACD/Index Name]
(2-methoxy-ethoxy)-acetic acid (3S,4aR,4bS,6S,8R,8aS,10aR)-6-acetoxy-3-furan-3-yl-4a,8a-dimethyl-1,5-dioxo-dodecahydro-2-oxa-phenanthren-8-ylmethyl ester
CHEMBL217971

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

Density: 1.3±0.1 g/cm3
Boiling Point: 642.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.9±3.0 kJ/mol
Flash Point: 342.5±31.5 °C
Index of Refraction: 1.537
Molar Refractivity: 128.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 2.07
ACD/LogD (pH 5.5): 2.82
ACD/BCF (pH 5.5): 82.24
ACD/KOC (pH 5.5): 817.35
ACD/LogD (pH 7.4): 2.82
ACD/BCF (pH 7.4): 82.24
ACD/KOC (pH 7.4): 817.35
Polar Surface Area: 128 Å2
Polarizability: 51.0±0.5 10-24cm3
Surface Tension: 50.1±5.0 dyne/cm
Molar Volume: 412.3±5.0 cm3

Click to predict properties on the Chemicalize site


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