ChemSpider 2D Image | (3aR,4R,6E,9S,10E,11aS)-9-Acetoxy-6,10-dimethyl-3-methylene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl 3-acetoxy-2-hydroxy-2-methylbutanoate | C24H32O9

(3aR,4R,6E,9S,10E,11aS)-9-Acetoxy-6,10-dimethyl-3-methylene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl 3-acetoxy-2-hydroxy-2-methylbutanoate

  • Molecular FormulaC24H32O9
  • Average mass464.505 Da
  • Monoisotopic mass464.204620 Da
  • ChemSpider ID28942557

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 6 defined stereocentres

More details:

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

(3aR,4R,6E,9S,10E,11aS)-9-Acetoxy-6,10-dimethyl-3-methylen-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl-3-acetoxy-2-hydroxy-2-methylbutanoat [German] [ACD/IUPAC Name]
(3aR,4R,6E,9S,10E,11aS)-9-Acetoxy-6,10-dimethyl-3-methylene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl 3-acetoxy-2-hydroxy-2-methylbutanoate [ACD/IUPAC Name]
3-Acétoxy-2-hydroxy-2-méthylbutanoate de (3aR,4R,6E,9S,10E,11aS)-9-acétoxy-6,10-diméthyl-3-méthylène-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodéca[b]furan-4-yle [French] [ACD/IUPAC Name]
Butanoic acid, 3-(acetyloxy)-2-hydroxy-2-methyl-, (3aR,4R,6E,9S,10E,11aS)-9-(acetyloxy)-2,3,3a,4,5,8,9,11a-octahydro-6,10-dimethyl-3-methylene-2-oxocyclodeca[b]furan-4-yl ester [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL273056/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 585.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.4±6.0 kJ/mol
Flash Point: 191.4±23.6 °C
Index of Refraction: 1.529
Molar Refractivity: 116.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.99
ACD/LogD (pH 5.5): 2.64
ACD/BCF (pH 5.5): 59.89
ACD/KOC (pH 5.5): 651.40
ACD/LogD (pH 7.4): 2.64
ACD/BCF (pH 7.4): 59.89
ACD/KOC (pH 7.4): 651.38
Polar Surface Area: 125 Å2
Polarizability: 46.3±0.5 10-24cm3
Surface Tension: 46.9±5.0 dyne/cm
Molar Volume: 378.6±5.0 cm3

Click to predict properties on the Chemicalize site


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