ChemSpider 2D Image | (1R,3S,5S,6aR,7S,8S,10R)-1,3-Diacetoxy-10-hydroxy-7,8-dimethyl-7-(3-methylene-4-penten-1-yl)-3,5,6,6a,7,8,9,10-octahydronaphtho[1,8a-c]furan-5-yl 2-methylbutanoate | C29H42O8

(1R,3S,5S,6aR,7S,8S,10R)-1,3-Diacetoxy-10-hydroxy-7,8-dimethyl-7-(3-methylene-4-penten-1-yl)-3,5,6,6a,7,8,9,10-octahydronaphtho[1,8a-c]furan-5-yl 2-methylbutanoate

  • Molecular FormulaC29H42O8
  • Average mass518.639 Da
  • Monoisotopic mass518.287964 Da
  • ChemSpider ID9481895

  • defined stereocentres - 7 of 9 defined stereocentres

More details:

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

(1R,3S,5S,6aR,7S,8S,10R)-1,3-Diacetoxy-10-hydroxy-7,8-dimethyl-7-(3-methylen-4-penten-1-yl)-3,5,6,6a,7,8,9,10-octahydronaphtho[1,8a-c]furan-5-yl-2-methylbutanoat [German] [ACD/IUPAC Name]
(1R,3S,5S,6aR,7S,8S,10R)-1,3-Diacetoxy-10-hydroxy-7,8-dimethyl-7-(3-methylene-4-penten-1-yl)-3,5,6,6a,7,8,9,10-octahydronaphtho[1,8a-c]furan-5-yl 2-methylbutanoate [ACD/IUPAC Name]
2-Méthylbutanoate de (1R,3S,5S,6aR,7S,8S,10R)-1,3-diacétoxy-10-hydroxy-7,8-diméthyl-7-(3-méthylène-4-pentén-1-yl)-3,5,6,6a,7,8,9,10-octahydronaphto[1,8a-c]furan-5-yle [French] [ACD/IUPAC Name]
Butanoic acid, 2-methyl-, (1R,3S,5S,6aR,7S,8S,10R)-1,3-bis(acetyloxy)-3,5,6,6a,7,8,9,10-octahydro-10-hydroxy-7,8-dimethyl-7-(3-methylene-4-penten-1-yl)-1H-naphtho[1,8a-c]furan-5-yl ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 592.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.4±6.0 kJ/mol
Flash Point: 183.3±23.6 °C
Index of Refraction: 1.529
Molar Refractivity: 137.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 5.43
ACD/LogD (pH 5.5): 5.30
ACD/BCF (pH 5.5): 6231.64
ACD/KOC (pH 5.5): 18103.73
ACD/LogD (pH 7.4): 5.30
ACD/BCF (pH 7.4): 6231.64
ACD/KOC (pH 7.4): 18103.73
Polar Surface Area: 108 Å2
Polarizability: 54.7±0.5 10-24cm3
Surface Tension: 44.3±5.0 dyne/cm
Molar Volume: 447.2±5.0 cm3

Click to predict properties on the Chemicalize site


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