Found 56 results

Search term: MF = 'C_{31}H_{34}O_{8}'
ChemSpider 2D Image | Methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-9-acetoxy-6a,10b-dimethyl-4,10-dioxo-2-{2-[(E)-2-phenylvinyl]-3-furyl}dodecahydro-2H-benzo[f]isochromene-7-carboxylate | C31H34O8

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

  • Molecular FormulaC31H34O8
  • Average mass534.597 Da
  • Monoisotopic mass534.225342 Da
  • ChemSpider ID58133621

  • 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)-9-Acétoxy-6a,10b-diméthyl-4,10-dioxo-2-{2-[(E)-2-phénylvinyl]-3-furyl}dodécahydro-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-4,10-dioxo-2-[2-[(E)-2-phenylethenyl]-3-furanyl]-, 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-4,10-dioxo-2-{2-[(E)-2-phenylvinyl]-3-furyl}dodecahydro-2H-benzo[f]isochromene-7-carboxylate [ACD/IUPAC Name]
Methyl-(2S,4aR,6aR,7R,9S,10aS,10bR)-9-acetoxy-6a,10b-dimethyl-4,10-dioxo-2-{2-[(E)-2-phenylvinyl]-3-furyl}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: 653.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.2±3.0 kJ/mol
Flash Point: 348.9±31.5 °C
Index of Refraction: 1.585
Molar Refractivity: 140.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.89
ACD/LogD (pH 5.5): 4.80
ACD/BCF (pH 5.5): 2625.76
ACD/KOC (pH 5.5): 9752.11
ACD/LogD (pH 7.4): 4.80
ACD/BCF (pH 7.4): 2625.76
ACD/KOC (pH 7.4): 9752.11
Polar Surface Area: 109 Å2
Polarizability: 55.7±0.5 10-24cm3
Surface Tension: 53.8±5.0 dyne/cm
Molar Volume: 419.3±5.0 cm3

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