ChemSpider 2D Image | (5aS,6S,9aR)-6,9a-Bis(acetoxymethyl)-6-methyl-3-oxo-1,3,4,5,5a,6,7,8,9,9a-decahydronaphtho[1,2-c]furan-5-yl benzoate | C26H30O8

(5aS,6S,9aR)-6,9a-Bis(acetoxymethyl)-6-methyl-3-oxo-1,3,4,5,5a,6,7,8,9,9a-decahydronaphtho[1,2-c]furan-5-yl benzoate

  • Molecular FormulaC26H30O8
  • Average mass470.512 Da
  • Monoisotopic mass470.194061 Da
  • ChemSpider ID78443456

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(5aS,6S,9aR)-6,9a-Bis(acetoxymethyl)-6-methyl-3-oxo-1,3,4,5,5a,6,7,8,9,9a-decahydronaphtho[1,2-c]furan-5-yl benzoate [ACD/IUPAC Name]
(5aS,6S,9aR)-6,9a-Bis(acetoxymethyl)-6-methyl-3-oxo-1,3,4,5,5a,6,7,8,9,9a-decahydronaphtho[1,2-c]furan-5-yl-benzoat [German] [ACD/IUPAC Name]
Benzoate de (5aS,6S,9aR)-6,9a-bis(acétoxyméthyl)-6-méthyl-3-oxo-1,3,4,5,5a,6,7,8,9,9a-décahydronaphto[1,2-c]furan-5-yle [French] [ACD/IUPAC Name]
Naphtho[1,2-c]furan-3(1H)-one, 6,9a-bis[(acetyloxy)methyl]-5-(benzoyloxy)-4,5,5a,6,7,8,9,9a-octahydro-6-methyl-, (5aS,6S,9aR)- [ACD/Index Name]
Astellolide A

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

Density: 1.3±0.1 g/cm3
Boiling Point: 598.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.1±3.0 kJ/mol
Flash Point: 255.8±30.2 °C
Index of Refraction: 1.569
Molar Refractivity: 120.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.68
ACD/LogD (pH 5.5): 4.27
ACD/BCF (pH 5.5): 1039.63
ACD/KOC (pH 5.5): 5024.38
ACD/LogD (pH 7.4): 4.27
ACD/BCF (pH 7.4): 1039.63
ACD/KOC (pH 7.4): 5024.38
Polar Surface Area: 105 Å2
Polarizability: 47.6±0.5 10-24cm3
Surface Tension: 52.5±5.0 dyne/cm
Molar Volume: 366.7±5.0 cm3

Click to predict properties on the Chemicalize site


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