ChemSpider 2D Image | (1S,3R,5R,6aS,7R,8R,10S,10aS)-1,3-Diacetoxy-10-methoxy-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 butyrate | C29H42O8

(1S,3R,5R,6aS,7R,8R,10S,10aS)-1,3-Diacetoxy-10-methoxy-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 butyrate

  • Molecular FormulaC29H42O8
  • Average mass518.639 Da
  • Monoisotopic mass518.287964 Da
  • ChemSpider ID58919135

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1S,3R,5R,6aS,7R,8R,10S,10aS)-1,3-Diacetoxy-10-methoxy-7,8-dimethyl-7-(3-methylen-4-penten-1-yl)-3,5,6,6a,7,8,9,10-octahydronaphtho[1,8a-c]furan-5-ylbutyrat [German] [ACD/IUPAC Name]
(1S,3R,5R,6aS,7R,8R,10S,10aS)-1,3-Diacetoxy-10-methoxy-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 butyrate [ACD/IUPAC Name]
Butanoic acid, (1S,3R,5R,6aS,7R,8R,10S,10aS)-1,3-bis(acetyloxy)-3,5,6,6a,7,8,9,10-octahydro-10-methoxy-7,8-dimethyl-7-(3-methylene-4-penten-1-yl)-1H-naphtho[1,8a-c]furan-5-yl ester [ACD/Index Name]
Butyrate de (1S,3R,5R,6aS,7R,8R,10S,10aS)-1,3-diacétoxy-10-méthoxy-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]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 572.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.8±3.0 kJ/mol
Flash Point: 238.6±30.2 °C
Index of Refraction: 1.519
Molar Refractivity: 138.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 5.68
ACD/LogD (pH 5.5): 5.50
ACD/BCF (pH 5.5): 8885.38
ACD/KOC (pH 5.5): 23337.40
ACD/LogD (pH 7.4): 5.50
ACD/BCF (pH 7.4): 8885.38
ACD/KOC (pH 7.4): 23337.40
Polar Surface Area: 97 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 42.0±5.0 dyne/cm
Molar Volume: 455.3±5.0 cm3

Click to predict properties on the Chemicalize site


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