ChemSpider 2D Image | (3aS,4S,5R,10E,11aR)-3a,4-Dihydroxy-6,10-dimethyl-3-methylene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-5-yl 2-methylpropanoate | C19H26O6

(3aS,4S,5R,10E,11aR)-3a,4-Dihydroxy-6,10-dimethyl-3-methylene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-5-yl 2-methylpropanoate

  • Molecular FormulaC19H26O6
  • Average mass350.406 Da
  • Monoisotopic mass350.172943 Da
  • ChemSpider ID23327180

  • 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

(3aS,4S,5R,10E,11aR)-3a,4-Dihydroxy-6,10-dimethyl-3-methylen-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-5-yl-2-methylpropanoat [German] [ACD/IUPAC Name]
(3aS,4S,5R,10E,11aR)-3a,4-Dihydroxy-6,10-dimethyl-3-methylene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-5-yl 2-methylpropanoate [ACD/IUPAC Name]
2-Méthylpropanoate de (3aS,4S,5R,10E,11aR)-3a,4-dihydroxy-6,10-diméthyl-3-méthylène-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodéca[b]furan-5-yle [French] [ACD/IUPAC Name]
Propanoic acid, 2-methyl-, (3aS,4S,5R,10E,11aR)-2,3,3a,4,5,8,9,11a-octahydro-3a,4-dihydroxy-6,10-dimethyl-3-methylene-2-oxocyclodeca[b]furan-5-yl ester [ACD/Index Name]
(3aS,4S,5R,10E,11aR)-3a,4-dihydroxy-6,10-dimethyl-3-methylidene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-5-yl 2-methylpropanoate
103425-50-9 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL510644/
Leucanthanolide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 505.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 89.2±6.0 kJ/mol
Flash Point: 175.4±23.6 °C
Index of Refraction: 1.546
Molar Refractivity: 91.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.35
ACD/LogD (pH 5.5): 2.40
ACD/BCF (pH 5.5): 39.19
ACD/KOC (pH 5.5): 480.90
ACD/LogD (pH 7.4): 2.40
ACD/BCF (pH 7.4): 39.19
ACD/KOC (pH 7.4): 480.83
Polar Surface Area: 93 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 47.5±5.0 dyne/cm
Molar Volume: 288.9±5.0 cm3

Click to predict properties on the Chemicalize site


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