ChemSpider 2D Image | (1aR,3S,3aR,4R,5aR,8aR,9aS)-1a,4-Dimethyl-8-methylene-7-oxodecahydro-1aH-oxireno[3,3a]azuleno[6,5-b]furan-3-yl 2-methylpropanoate | C19H26O5

(1aR,3S,3aR,4R,5aR,8aR,9aS)-1a,4-Dimethyl-8-methylene-7-oxodecahydro-1aH-oxireno[3,3a]azuleno[6,5-b]furan-3-yl 2-methylpropanoate

  • Molecular FormulaC19H26O5
  • Average mass334.407 Da
  • Monoisotopic mass334.178009 Da
  • ChemSpider ID64858335

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1aR,3S,3aR,4R,5aR,8aR,9aS)-1a,4-Dimethyl-8-methylen-7-oxodecahydro-1aH-oxireno[3,3a]azuleno[6,5-b]furan-3-yl-2-methylpropanoat [German] [ACD/IUPAC Name]
(1aR,3S,3aR,4R,5aR,8aR,9aS)-1a,4-Dimethyl-8-methylene-7-oxodecahydro-1aH-oxireno[3,3a]azuleno[6,5-b]furan-3-yl 2-methylpropanoate [ACD/IUPAC Name]
2-Méthylpropanoate de (1aR,3S,3aR,4R,5aR,8aR,9aS)-1a,4-diméthyl-8-méthylène-7-oxodécahydro-1aH-oxiréno[3,3a]azuléno[6,5-b]furan-3-yle [French] [ACD/IUPAC Name]
Propanoic acid, 2-methyl-, (1aR,3S,3aR,4R,5aR,8aR,9aS)-decahydro-1a,4-dimethyl-8-methylene-7-oxo-3H-oxireno[3,3a]azuleno[6,5-b]furan-3-yl ester [ACD/Index Name]
(1aR,3S,3aR,4R,5aR,8aR,9aS)-1a,4-dimethyl-8-methylene-7-oxodecahydro-1aH-oxireno[2',3':3,3a]azuleno[6,5-b]furan-3-yl isobutyrate
1367351-41-4 [RN]
Minimolide F

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 465.4±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 72.7±3.0 kJ/mol
    Flash Point: 204.2±28.8 °C
    Index of Refraction: 1.536
    Molar Refractivity: 86.7±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.10
    ACD/LogD (pH 5.5): 2.23
    ACD/BCF (pH 5.5): 29.19
    ACD/KOC (pH 5.5): 389.44
    ACD/LogD (pH 7.4): 2.23
    ACD/BCF (pH 7.4): 29.19
    ACD/KOC (pH 7.4): 389.44
    Polar Surface Area: 65 Å2
    Polarizability: 34.4±0.5 10-24cm3
    Surface Tension: 42.6±5.0 dyne/cm
    Molar Volume: 278.0±5.0 cm3

    Click to predict properties on the Chemicalize site


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