ChemSpider 2D Image | (3aR,4S,5R,8R,8aR,9aS)-5,8-Dihydroxy-5,8a-dimethyl-3-methylene-2-oxododecahydronaphtho[2,3-b]furan-4-yl (2E)-2-methyl-2-butenoate | C20H28O6

(3aR,4S,5R,8R,8aR,9aS)-5,8-Dihydroxy-5,8a-dimethyl-3-methylene-2-oxododecahydronaphtho[2,3-b]furan-4-yl (2E)-2-methyl-2-butenoate

  • Molecular FormulaC20H28O6
  • Average mass364.433 Da
  • Monoisotopic mass364.188599 Da
  • ChemSpider ID22875038

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(2E)-2-Méthyl-2-buténoate de (3aR,4S,5R,8R,8aR,9aS)-5,8-dihydroxy-5,8a-diméthyl-3-méthylène-2-oxododécahydronaphto[2,3-b]furan-4-yle [French] [ACD/IUPAC Name]
(3aR,4S,5R,8R,8aR,9aS)-5,8-Dihydroxy-5,8a-dimethyl-3-methylen-2-oxododecahydronaphtho[2,3-b]furan-4-yl-(2E)-2-methyl-2-butenoat [German] [ACD/IUPAC Name]
(3aR,4S,5R,8R,8aR,9aS)-5,8-Dihydroxy-5,8a-dimethyl-3-methylene-2-oxododecahydronaphtho[2,3-b]furan-4-yl (2E)-2-methyl-2-butenoate [ACD/IUPAC Name]
2-Butenoic acid, 2-methyl-, (3aR,4S,5R,8R,8aR,9aS)-dodecahydro-5,8-dihydroxy-5,8a-dimethyl-3-methylene-2-oxonaphtho[2,3-b]furan-4-yl ester, (2E)- [ACD/Index Name]
(E)-(3aR,4S,5R,8R,8aR,9aS)-5,8-dihydroxy-5,8a-dimethyl-3-methylene-2-oxododecahydronaphtho[2,3-b]furan-4-yl 2-methylbut-2-enoate

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 532.3±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.2 mmHg at 25°C
    Enthalpy of Vaporization: 92.9±6.0 kJ/mol
    Flash Point: 185.0±23.6 °C
    Index of Refraction: 1.555
    Molar Refractivity: 94.4±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.13
    ACD/LogD (pH 5.5): 2.65
    ACD/BCF (pH 5.5): 60.65
    ACD/KOC (pH 5.5): 657.34
    ACD/LogD (pH 7.4): 2.65
    ACD/BCF (pH 7.4): 60.65
    ACD/KOC (pH 7.4): 657.34
    Polar Surface Area: 93 Å2
    Polarizability: 37.4±0.5 10-24cm3
    Surface Tension: 49.3±5.0 dyne/cm
    Molar Volume: 294.1±5.0 cm3

    Click to predict properties on the Chemicalize site


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