ChemSpider 2D Image | 1-{3-Acetoxy-6-[(2E)-1-acetoxy-2-methyl-2-hexen-1-yl]-3a-methyl-5-oxo-1a,1b,2,3,3a,5,6,6a-octahydro-8aH-furo[2,3-h]oxireno[c]isochromen-8a-yl}-6-methyl-7-oxabicyclo[4.1.0]hept-3-en-2-yl acetate | C32H40O11

1-{3-Acetoxy-6-[(2E)-1-acetoxy-2-methyl-2-hexen-1-yl]-3a-methyl-5-oxo-1a,1b,2,3,3a,5,6,6a-octahydro-8aH-furo[2,3-h]oxireno[c]isochromen-8a-yl}-6-methyl-7-oxabicyclo[4.1.0]hept-3-en-2-yl acetate

  • Molecular FormulaC32H40O11
  • Average mass600.653 Da
  • Monoisotopic mass600.257080 Da
  • ChemSpider ID9976401

  • Double-bond stereo - Double-bond stereo

More details:

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

1-{3-Acetoxy-6-[(2E)-1-acetoxy-2-methyl-2-hexen-1-yl]-3a-methyl-5-oxo-1a,1b,2,3,3a,5,6,6a-octahydro-8aH-furo[2,3-h]oxireno[c]isochromen-8a-yl}-6-methyl-7-oxabicyclo[4.1.0]hept-3-en-2-yl acetate [ACD/IUPAC Name]
1-{3-Acetoxy-6-[(2E)-1-acetoxy-2-methyl-2-hexen-1-yl]-3a-methyl-5-oxo-1a,1b,2,3,3a,5,6,6a-octahydro-8aH-furo[2,3-h]oxireno[c]isochromen-8a-yl}-6-methyl-7-oxabicyclo[4.1.0]hept-3-en-2-yl-acetat [German] [ACD/IUPAC Name]
5H-Furo[2,3-h]oxireno[c][2]benzopyran-5-one, 3-(acetyloxy)-6-[(2E)-1-(acetyloxy)-2-methyl-2-hexen-1-yl]-8a-[2-(acetyloxy)-6-methyl-7-oxabicyclo[4.1.0]hept-3-en-1-yl]-1a,1b,2,3,3a,6,6a,8a-octahydro-3a- methyl- [ACD/Index Name]
Acétate de 1-{3-acétoxy-6-[(2E)-1-acétoxy-2-méthyl-2-hexén-1-yl]-3a-méthyl-5-oxo-1a,1b,2,3,3a,5,6,6a-octahydro-8aH-furo[2,3-h]oxiréno[c]isochromén-8a-yl}-6-méthyl-7-oxabicyclo[4.1.0]hept-3-én-2-yle [French] [ACD/IUPAC 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: 686.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.7±3.0 kJ/mol
Flash Point: 285.3±31.5 °C
Index of Refraction: 1.575
Molar Refractivity: 149.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 2.84
ACD/LogD (pH 5.5): 3.14
ACD/BCF (pH 5.5): 143.44
ACD/KOC (pH 5.5): 1217.19
ACD/LogD (pH 7.4): 3.14
ACD/BCF (pH 7.4): 143.44
ACD/KOC (pH 7.4): 1217.19
Polar Surface Area: 139 Å2
Polarizability: 59.4±0.5 10-24cm3
Surface Tension: 53.3±5.0 dyne/cm
Molar Volume: 453.2±5.0 cm3

Click to predict properties on the Chemicalize site


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