ChemSpider 2D Image | 1-[(1R,4aS,7Z,11aR)-1-Acetoxy-7-methyl-11-methylene-1,4a,5,6,9,10,11,11a-octahydrocyclonona[c]pyran-4-yl]-4-methyl-3-penten-1-yl acetate | C24H34O5

1-[(1R,4aS,7Z,11aR)-1-Acetoxy-7-methyl-11-methylene-1,4a,5,6,9,10,11,11a-octahydrocyclonona[c]pyran-4-yl]-4-methyl-3-penten-1-yl acetate

  • Molecular FormulaC24H34O5
  • Average mass402.524 Da
  • Monoisotopic mass402.240631 Da
  • ChemSpider ID57641812
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 4 defined stereocentres


More details:






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

1-[(1R,4aS,7Z,11aR)-1-Acetoxy-7-methyl-11-methylen-1,4a,5,6,9,10,11,11a-octahydrocyclonona[c]pyran-4-yl]-4-methyl-3-penten-1-yl-acetat [German] [ACD/IUPAC Name]
1-[(1R,4aS,7Z,11aR)-1-Acetoxy-7-methyl-11-methylene-1,4a,5,6,9,10,11,11a-octahydrocyclonona[c]pyran-4-yl]-4-methyl-3-penten-1-yl acetate [ACD/IUPAC Name]
Acétate de 1-[(1R,4aS,7Z,11aR)-1-acétoxy-7-méthyl-11-méthylène-1,4a,5,6,9,10,11,11a-octahydrocyclonona[c]pyran-4-yl]-4-méthyl-3-pentén-1-yle [French] [ACD/IUPAC Name]
Cyclonona[c]pyran-4-methanol, 1-(acetyloxy)-1,4a,5,6,9,10,11,11a-octahydro-7-methyl-α-(3-methyl-2-buten-1-yl)-11-methylene-, acetate, (1R,4aS,7Z,11aR)- [ACD/Index Name]
168113-67-5 [RN]
9-deacetoxy-14,15-deepoxyxeniculin

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 497.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.6±3.0 kJ/mol
Flash Point: 212.1±28.8 °C
Index of Refraction: 1.517
Molar Refractivity: 113.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.00
ACD/LogD (pH 5.5): 5.61
ACD/BCF (pH 5.5): 10777.44
ACD/KOC (pH 5.5): 26795.62
ACD/LogD (pH 7.4): 5.61
ACD/BCF (pH 7.4): 10777.44
ACD/KOC (pH 7.4): 26795.62
Polar Surface Area: 62 Å2
Polarizability: 44.8±0.5 10-24cm3
Surface Tension: 38.7±5.0 dyne/cm
Molar Volume: 373.9±5.0 cm3

Click to predict properties on the Chemicalize site






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