ChemSpider 2D Image | Methyl (1aR,4E,6S,7S,7aR,10aS,10bS)-6-acetoxy-7-{[(2,3-dimethyl-2-oxiranyl)carbonyl]oxy}-1a-methyl-8-methylene-9-oxo-1a,2,3,6,7,7a,8,9,10a,10b-decahydrooxireno[9,10]cyclodeca[1,2-b]furan-5-carboxylate | C23H28O10

Methyl (1aR,4E,6S,7S,7aR,10aS,10bS)-6-acetoxy-7-{[(2,3-dimethyl-2-oxiranyl)carbonyl]oxy}-1a-methyl-8-methylene-9-oxo-1a,2,3,6,7,7a,8,9,10a,10b-decahydrooxireno[9,10]cyclodeca[1,2-b]furan-5-carboxylate

  • Molecular FormulaC23H28O10
  • Average mass464.462 Da
  • Monoisotopic mass464.168243 Da
  • ChemSpider ID28945085

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 8 defined stereocentres

More details:

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

(1aR,4E,6S,7S,7aR,10aS,10bS)-6-Acétoxy-7-{[(2,3-diméthyl-2-oxiranyl)carbonyl]oxy}-1a-méthyl-8-méthylène-9-oxo-1a,2,3,6,7,7a,8,9,10a,10b-décahydrooxiréno[9,10]cyclodéca[1,2-b]furane-5-carboxylate de mé thyle [French] [ACD/IUPAC Name]
Methyl (1aR,4E,6S,7S,7aR,10aS,10bS)-6-acetoxy-7-{[(2,3-dimethyl-2-oxiranyl)carbonyl]oxy}-1a-methyl-8-methylene-9-oxo-1a,2,3,6,7,7a,8,9,10a,10b-decahydrooxireno[9,10]cyclodeca[1,2-b]furan-5-carboxylate [ACD/IUPAC Name]
Methyl-(1aR,4E,6S,7S,7aR,10aS,10bS)-6-acetoxy-7-{[(2,3-dimethyl-2-oxiranyl)carbonyl]oxy}-1a-methyl-8-methylen-9-oxo-1a,2,3,6,7,7a,8,9,10a,10b-decahydrooxireno[9,10]cyclodeca[1,2-b]furan-5-carboxylat [German] [ACD/IUPAC Name]
Oxireno[9,10]cyclodeca[1,2-b]furan-5-carboxylic acid, 6-(acetyloxy)-7-[[(2,3-dimethyloxiranyl)carbonyl]oxy]-1a,2,3,6,7,7a,8,9,10a,10b-decahydro-1a-methyl-8-methylene-9-oxo-, methyl ester, (1aR,4E,6S,7 S,7aR,10aS,10bS)- [ACD/Index Name]
enhydrin
methyl (1S,2S,4R,7E,9S,11R)-9-acetyloxy-10-(2,3-dimethyloxirane-2-carbonyl)oxy-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-ene-8-carboxylate
PSF-A

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 575.0±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 86.1±3.0 kJ/mol
    Flash Point: 247.4±30.2 °C
    Index of Refraction: 1.548
    Molar Refractivity: 110.4±0.4 cm3
    #H bond acceptors: 10
    #H bond donors: 0
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 1
    ACD/LogP: 1.77
    ACD/LogD (pH 5.5): 1.61
    ACD/BCF (pH 5.5): 9.81
    ACD/KOC (pH 5.5): 178.36
    ACD/LogD (pH 7.4): 1.61
    ACD/BCF (pH 7.4): 9.81
    ACD/KOC (pH 7.4): 178.36
    Polar Surface Area: 130 Å2
    Polarizability: 43.8±0.5 10-24cm3
    Surface Tension: 50.4±5.0 dyne/cm
    Molar Volume: 347.5±5.0 cm3

    Click to predict properties on the Chemicalize site


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