Found 3 results

Search term: FRJDOHXLSCQTIL (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Methyl (1aS,4E)-6-acetoxy-1a-methyl-7-{[(2Z)-2-methyl-2-butenoyl]oxy}-8-methylene-9-oxo-1a,2,3,6,7,7a,8,9,10a,10b-decahydrooxireno[9,10]cyclodeca[1,2-b]furan-5-carboxylate | C23H28O9

Methyl (1aS,4E)-6-acetoxy-1a-methyl-7-{[(2Z)-2-methyl-2-butenoyl]oxy}-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 FormulaC23H28O9
  • Average mass448.463 Da
  • Monoisotopic mass448.173340 Da
  • ChemSpider ID30650630

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 6 defined stereocentres

More details:

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

(1aS,4E)-6-Acétoxy-1a-méthyl-7-{[(2Z)-2-méthyl-2-butenoyl]oxy}-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 (1aS,4E)-6-acetoxy-1a-methyl-7-{[(2Z)-2-methyl-2-butenoyl]oxy}-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-(1aS,4E)-6-acetoxy-1a-methyl-7-{[(2Z)-2-methyl-2-butenoyl]oxy}-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)-1a,2,3,6,7,7a,8,9,10a,10b-decahydro-1a-methyl-8-methylene-7-[[(2Z)-2-methyl-1-oxo-2-buten-1-yl]oxy]-9-oxo-, methyl ester, (1aS,4E)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 571.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.7±3.0 kJ/mol
Flash Point: 245.8±30.2 °C
Index of Refraction: 1.539
Molar Refractivity: 110.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.14
ACD/LogD (pH 5.5): 2.59
ACD/BCF (pH 5.5): 54.25
ACD/KOC (pH 5.5): 606.86
ACD/LogD (pH 7.4): 2.59
ACD/BCF (pH 7.4): 54.25
ACD/KOC (pH 7.4): 606.86
Polar Surface Area: 118 Å2
Polarizability: 43.8±0.5 10-24cm3
Surface Tension: 47.4±5.0 dyne/cm
Molar Volume: 352.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement