ChemSpider 2D Image | Methyl (2E,4E)-5-[(1R,7S,8S,9R)-7-acetoxy-4,9-dimethyl-11-oxo-10-oxatricyclo[6.3.2.0~1,7~]tridec-3-en-9-yl]-2-methyl-2,4-pentadienoate | C23H30O6

Methyl (2E,4E)-5-[(1R,7S,8S,9R)-7-acetoxy-4,9-dimethyl-11-oxo-10-oxatricyclo[6.3.2.01,7]tridec-3-en-9-yl]-2-methyl-2,4-pentadienoate

  • Molecular FormulaC23H30O6
  • Average mass402.481 Da
  • Monoisotopic mass402.204254 Da
  • ChemSpider ID28424306

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2E,4E)-5-[(1R,7S,8S,9R)-7-Acétoxy-4,9-diméthyl-11-oxo-10-oxatricyclo[6.3.2.01,7]tridéc-3-én-9-yl]-2-méthyl-2,4-pentadiénoate de méthyle [French] [ACD/IUPAC Name]
2,4-Pentadienoic acid, 5-[(3R,4S,4aS,9aR)-4a-(acetyloxy)-3,4,4a,5,6,9-hexahydro-3,7-dimethyl-1-oxo-1H-4,9a-ethanocyclohepta[c]pyran-3-yl]-2-methyl-, methyl ester, (2E,4E)- [ACD/Index Name]
Methyl (2E,4E)-5-[(1R,7S,8S,9R)-7-acetoxy-4,9-dimethyl-11-oxo-10-oxatricyclo[6.3.2.01,7]tridec-3-en-9-yl]-2-methyl-2,4-pentadienoate [ACD/IUPAC Name]
Methyl-(2E,4E)-5-[(1R,7S,8S,9R)-7-acetoxy-4,9-dimethyl-11-oxo-10-oxatricyclo[6.3.2.01,7]tridec-3-en-9-yl]-2-methyl-2,4-pentadienoat [German] [ACD/IUPAC Name]
[82508-33-6] [RN]
[82508-34-7] [RN]
[82508-36-9] [RN]
[82508-37-0] [RN]
[82516-17-4] [RN]
82508-33-6 [RN]
More...

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

Density: 1.2±0.1 g/cm3
Boiling Point: 528.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.4±3.0 kJ/mol
Flash Point: 228.0±30.2 °C
Index of Refraction: 1.543
Molar Refractivity: 107.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.00
ACD/LogD (pH 5.5): 3.80
ACD/BCF (pH 5.5): 453.17
ACD/KOC (pH 5.5): 2773.06
ACD/LogD (pH 7.4): 3.80
ACD/BCF (pH 7.4): 453.17
ACD/KOC (pH 7.4): 2773.06
Polar Surface Area: 79 Å2
Polarizability: 42.5±0.5 10-24cm3
Surface Tension: 45.1±5.0 dyne/cm
Molar Volume: 340.2±5.0 cm3

Click to predict properties on the Chemicalize site


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