ChemSpider 2D Image | Methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-9-acetoxy-6a,10b-dimethyl-2-[2-(2-naphthyl)-3-furyl]-4,10-dioxododecahydro-2H-benzo[f]isochromene-7-carboxylate | C33H34O8

Methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-9-acetoxy-6a,10b-dimethyl-2-[2-(2-naphthyl)-3-furyl]-4,10-dioxododecahydro-2H-benzo[f]isochromene-7-carboxylate

  • Molecular FormulaC33H34O8
  • Average mass558.618 Da
  • Monoisotopic mass558.225342 Da
  • ChemSpider ID58133924

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2S,4aR,6aR,7R,9S,10aS,10bR)-9-Acétoxy-6a,10b-diméthyl-2-[2-(2-naphtyl)-3-furyl]-4,10-dioxododécahydro-2H-benzo[f]isochromène-7-carboxylate de méthyle [French] [ACD/IUPAC Name]
2H-Naphtho[2,1-c]pyran-7-carboxylic acid, 9-(acetyloxy)dodecahydro-6a,10b-dimethyl-2-[2-(2-naphthalenyl)-3-furanyl]-4,10-dioxo-, methyl ester, (2S,4aR,6aR,7R,9S,10aS,10bR)- [ACD/Index Name]
Methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-9-acetoxy-6a,10b-dimethyl-2-[2-(2-naphthyl)-3-furyl]-4,10-dioxododecahydro-2H-benzo[f]isochromene-7-carboxylate [ACD/IUPAC Name]
Methyl-(2S,4aR,6aR,7R,9S,10aS,10bR)-9-acetoxy-6a,10b-dimethyl-2-[2-(2-naphthyl)-3-furyl]-4,10-dioxododecahydro-2H-benzo[f]isochromen-7-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 690.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.2±3.0 kJ/mol
Flash Point: 371.2±31.5 °C
Index of Refraction: 1.616
Molar Refractivity: 148.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.84
ACD/LogD (pH 5.5): 4.92
ACD/BCF (pH 5.5): 3239.48
ACD/KOC (pH 5.5): 11334.25
ACD/LogD (pH 7.4): 4.92
ACD/BCF (pH 7.4): 3239.48
ACD/KOC (pH 7.4): 11334.25
Polar Surface Area: 109 Å2
Polarizability: 59.0±0.5 10-24cm3
Surface Tension: 57.2±5.0 dyne/cm
Molar Volume: 426.4±5.0 cm3

Click to predict properties on the Chemicalize site


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