ChemSpider 2D Image | (1aR,5E,8E,10aS,13aS,14S,14aR)-1a,5,9-Trimethyl-13-methylene-12-oxo-1a,2,3,4,7,10,10a,12,13,13a,14,14a-dodecahydrooxireno[4,5]cyclotetradeca[1,2-b]furan-14-yl acetate | C22H30O5

(1aR,5E,8E,10aS,13aS,14S,14aR)-1a,5,9-Trimethyl-13-methylene-12-oxo-1a,2,3,4,7,10,10a,12,13,13a,14,14a-dodecahydrooxireno[4,5]cyclotetradeca[1,2-b]furan-14-yl acetate

  • Molecular FormulaC22H30O5
  • Average mass374.471 Da
  • Monoisotopic mass374.209320 Da
  • ChemSpider ID76712498

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1aR,5E,8E,10aS,13aS,14S,14aR)-1a,5,9-Trimethyl-13-methylen-12-oxo-1a,2,3,4,7,10,10a,12,13,13a,14,14a-dodecahydrooxireno[4,5]cyclotetradeca[1,2-b]furan-14-yl-acetat [German] [ACD/IUPAC Name]
(1aR,5E,8E,10aS,13aS,14S,14aR)-1a,5,9-Trimethyl-13-methylene-12-oxo-1a,2,3,4,7,10,10a,12,13,13a,14,14a-dodecahydrooxireno[4,5]cyclotetradeca[1,2-b]furan-14-yl acetate [ACD/IUPAC Name]
Acétate de (1aR,5E,8E,10aS,13aS,14S,14aR)-1a,5,9-triméthyl-13-méthylène-12-oxo-1a,2,3,4,7,10,10a,12,13,13a,14,14a-dodécahydrooxiréno[4,5]cyclotétradéca[1,2-b]furan-14-yle [French] [ACD/IUPAC Name]
Oxireno[4,5]cyclotetradeca[1,2-b]furan-12(1aH)-one, 14-(acetyloxy)-2,3,4,7,10,10a,13,13a,14,14a-decahydro-1a,5,9-trimethyl-13-methylene-, (1aR,5E,8E,10aS,13aS,14S,14aR)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 507.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.8±3.0 kJ/mol
Flash Point: 219.8±30.2 °C
Index of Refraction: 1.531
Molar Refractivity: 102.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.55
ACD/LogD (pH 5.5): 3.95
ACD/BCF (pH 5.5): 587.99
ACD/KOC (pH 5.5): 3341.32
ACD/LogD (pH 7.4): 3.95
ACD/BCF (pH 7.4): 587.99
ACD/KOC (pH 7.4): 3341.32
Polar Surface Area: 65 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 41.1±5.0 dyne/cm
Molar Volume: 330.0±5.0 cm3

Click to predict properties on the Chemicalize site


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