ChemSpider 2D Image | Methyl (1aR,6S,7S,7aR,10aS,10bR)-6-acetoxy-7-({[(2S,3S)-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-carbox ylate | C23H28O10

Methyl (1aR,6S,7S,7aR,10aS,10bR)-6-acetoxy-7-({[(2S,3S)-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-carbox ylate

  • Molecular FormulaC23H28O10
  • Average mass464.462 Da
  • Monoisotopic mass464.168243 Da
  • ChemSpider ID23268401

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1aR,6S,7S,7aR,10aS,10bR)-6-Acétoxy-7-({[(2S,3S)-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 méthyle [French] [ACD/IUPAC Name]
methyl (1aR,6S,7S,7aR,10aS,10bR)-6-(acetyloxy)-7-({[(2S,3S)-2,3-dimethyloxiran-2-yl]carbonyl}oxy)-1a-methyl-8-methylidene-9-oxo-1a,2,3,6,7,7a,8,9,10a,10b-decahydrooxireno[9,10]cyclodeca[1,2-b]furan-5-carboxylate
Methyl (1aR,6S,7S,7aR,10aS,10bR)-6-acetoxy-7-({[(2S,3S)-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-carbox ylate [ACD/IUPAC Name]
Methyl-(1aR,6S,7S,7aR,10aS,10bR)-6-acetoxy-7-({[(2S,3S)-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-carboxy lat [German] [ACD/IUPAC Name]
Oxireno[9,10]cyclodeca[1,2-b]furan-5-carboxylic acid, 6-(acetyloxy)-7-[[[(2S,3S)-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 ,6S,7S,7aR,10aS,10bR)- [ACD/Index Name]
oxireno[9,10]cyclodeca[1,2-b]furan-5-carboxylic acid, 6-(acetyloxy)-7-[[[(2S,3S)-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,6S,7S,7aR,10aS,10bR)-
enhydrine

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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