ChemSpider 2D Image | Methyl [(1R,5aR,5bR,6aS,9S,9aS,11aR,11bR)-9-(3-furyl)-3,3,5a,9a,11b-pentamethyl-5,7-dioxotetradecahydro[2]benzofuro[5,4-f]oxireno[d]isochromen-1-yl]acetate | C27H34O8

Methyl [(1R,5aR,5bR,6aS,9S,9aS,11aR,11bR)-9-(3-furyl)-3,3,5a,9a,11b-pentamethyl-5,7-dioxotetradecahydro[2]benzofuro[5,4-f]oxireno[d]isochromen-1-yl]acetate

  • Molecular FormulaC27H34O8
  • Average mass486.554 Da
  • Monoisotopic mass486.225372 Da
  • ChemSpider ID28945057

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

[(1R,5aR,5bR,6aS,9S,9aS,11aR,11bR)-9-(3-Furyl)-3,3,5a,9a,11b-pentaméthyl-5,7-dioxotétradécahydro[2]benzofuro[5,4-f]oxiréno[d]isochromén-1-yl]acétate de méthyle [French] [ACD/IUPAC Name]
Furo[3',4':5,6]naphth[2,1-c]oxireno[d]pyran-1-acetic acid, 9-(3-furanyl)tetradecahydro-3,3,5a,9a,11b-pentamethyl-5,7-dioxo-, methyl ester, (1R,5aR,5bR,6aS,9S,9aS,11aR,11bR)- [ACD/Index Name]
Methyl [(1R,5aR,5bR,6aS,9S,9aS,11aR,11bR)-9-(3-furyl)-3,3,5a,9a,11b-pentamethyl-5,7-dioxotetradecahydro[2]benzofuro[5,4-f]oxireno[d]isochromen-1-yl]acetate [ACD/IUPAC Name]
Methyl-[(1R,5aR,5bR,6aS,9S,9aS,11aR,11bR)-9-(3-furyl)-3,3,5a,9a,11b-pentamethyl-5,7-dioxotetradecahydro[2]benzofuro[5,4-f]oxireno[d]isochromen-1-yl]acetat [German] [ACD/IUPAC Name]
Veprisone (Methyl epiisoobacunoate)

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 593.9±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 88.5±3.0 kJ/mol
    Flash Point: 313.0±30.1 °C
    Index of Refraction: 1.572
    Molar Refractivity: 122.8±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.79
    ACD/LogD (pH 5.5): 2.44
    ACD/BCF (pH 5.5): 42.52
    ACD/KOC (pH 5.5): 509.74
    ACD/LogD (pH 7.4): 2.44
    ACD/BCF (pH 7.4): 42.52
    ACD/KOC (pH 7.4): 509.74
    Polar Surface Area: 105 Å2
    Polarizability: 48.7±0.5 10-24cm3
    Surface Tension: 51.8±5.0 dyne/cm
    Molar Volume: 373.2±5.0 cm3

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