ChemSpider 2D Image | Methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-2-(3-furyl)-6a,10b-dimethyl-4,10-dioxo-9-{[(2E)-3-phenyl-2-propenoyl]oxy}dodecahydro-2H-benzo[f]isochromene-7-carboxylate | C30H32O8

Methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-2-(3-furyl)-6a,10b-dimethyl-4,10-dioxo-9-{[(2E)-3-phenyl-2-propenoyl]oxy}dodecahydro-2H-benzo[f]isochromene-7-carboxylate

  • Molecular FormulaC30H32O8
  • Average mass520.570 Da
  • Monoisotopic mass520.209717 Da
  • ChemSpider ID58113452

  • Double-bond stereo - Double-bond stereo

    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)-2-(3-Furyl)-6a,10b-diméthyl-4,10-dioxo-9-{[(2E)-3-phényl-2-propenoyl]oxy}dodécahydro-2H-benzo[f]isochromène-7-carboxylate de méthyle [French] [ACD/IUPAC Name]
2H-Naphtho[2,1-c]pyran-7-carboxylic acid, 2-(3-furanyl)dodecahydro-6a,10b-dimethyl-4,10-dioxo-9-[[(2E)-1-oxo-3-phenyl-2-propen-1-yl]oxy]-, methyl ester, (2S,4aR,6aR,7R,9S,10aS,10bR)- [ACD/Index Name]
Methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-2-(3-furyl)-6a,10b-dimethyl-4,10-dioxo-9-{[(2E)-3-phenyl-2-propenoyl]oxy}dodecahydro-2H-benzo[f]isochromene-7-carboxylate [ACD/IUPAC Name]
Methyl-(2S,4aR,6aR,7R,9S,10aS,10bR)-2-(3-furyl)-6a,10b-dimethyl-4,10-dioxo-9-{[(2E)-3-phenyl-2-propenoyl]oxy}dodecahydro-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: 667.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.2±3.0 kJ/mol
Flash Point: 357.6±31.5 °C
Index of Refraction: 1.588
Molar Refractivity: 135.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.82
ACD/LogD (pH 5.5): 4.10
ACD/BCF (pH 5.5): 765.06
ACD/KOC (pH 5.5): 4034.14
ACD/LogD (pH 7.4): 4.10
ACD/BCF (pH 7.4): 765.06
ACD/KOC (pH 7.4): 4034.14
Polar Surface Area: 109 Å2
Polarizability: 53.9±0.5 10-24cm3
Surface Tension: 54.6±5.0 dyne/cm
Molar Volume: 403.7±5.0 cm3

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