ChemSpider 2D Image | Laurenobiolide | C17H22O4

Laurenobiolide

  • Molecular FormulaC17H22O4
  • Average mass290.354 Da
  • Monoisotopic mass290.151794 Da
  • ChemSpider ID26333220

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 3 defined stereocentres

More details:

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

(4S,5E,9E)-6,10-Dimethyl-3-methylen-2-oxo-2,3,3a,4,7,8,11,11a-octahydrocyclodeca[b]furan-4-yl-acetat [German] [ACD/IUPAC Name]
(4S,5E,9E)-6,10-Dimethyl-3-methylene-2-oxo-2,3,3a,4,7,8,11,11a-octahydrocyclodeca[b]furan-4-yl acetate [ACD/IUPAC Name]
Acétate de (4S,5E,9E)-6,10-diméthyl-3-méthylène-2-oxo-2,3,3a,4,7,8,11,11a-octahydrocyclodéca[b]furan-4-yle [French] [ACD/IUPAC Name]
Cyclodeca[b]furan-2(3H)-one, 4-(acetyloxy)-3a,4,7,8,11,11a-hexahydro-6,10-dimethyl-3-methylene-, (4S,5E,9E)- [ACD/Index Name]
Laurenobiolide
[(4S,5E,9E)-6,10-dimethyl-3-methylidene-2-oxo-2,3,3a,4,7,8,11,11a-octahydrocyclodeca[b]furan-4-yl] acetate
35001-25-3 [RN]

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

7000904 [DBID]
  • Miscellaneous

    • Chemical Class:

      A germacranolide isolated from <ital>Laurus nobilis L.</ital> and which has been shown to exhibit allergenic activity. ChEBI CHEBI:6390
      A germacranolide isolated from Laurus nobilis L. and which has been shown to exhibit allergenic activity. ChEBI CHEBI:6390

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

Density: 1.1±0.1 g/cm3
Boiling Point: 436.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.3±3.0 kJ/mol
Flash Point: 218.5±27.1 °C
Index of Refraction: 1.520
Molar Refractivity: 79.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.92
ACD/LogD (pH 5.5): 3.20
ACD/BCF (pH 5.5): 158.51
ACD/KOC (pH 5.5): 1307.43
ACD/LogD (pH 7.4): 3.20
ACD/BCF (pH 7.4): 158.51
ACD/KOC (pH 7.4): 1307.43
Polar Surface Area: 53 Å2
Polarizability: 31.4±0.5 10-24cm3
Surface Tension: 38.6±5.0 dyne/cm
Molar Volume: 260.7±5.0 cm3

Click to predict properties on the Chemicalize site


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