ChemSpider 2D Image | 10-acetoxy-deacetyl-oxo-hydroraspacionin | C34H56O8

10-acetoxy-deacetyl-oxo-hydroraspacionin

  • Molecular FormulaC34H56O8
  • Average mass592.804 Da
  • Monoisotopic mass592.397522 Da
  • ChemSpider ID10475041

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(5aS,6S,7S,9aS)-6-{2-[(3S,5aS,6S,7R,9aS)-3-Acetoxy-7-hydroxy-2,2,5a,7-tetramethyldecahydro-1-benzoxepin-6-yl]ethyl}-2,2,5a,7-tetramethyl-3-oxodecahydro-1-benzoxepin-7-yl acetate [ACD/IUPAC Name]
(5aS,6S,7S,9aS)-6-{2-[(3S,5aS,6S,7R,9aS)-3-Acetoxy-7-hydroxy-2,2,5a,7-tetramethyldecahydro-1-benzoxepin-6-yl]ethyl}-2,2,5a,7-tetramethyl-3-oxodecahydro-1-benzoxepin-7-yl-acetat [German] [ACD/IUPAC Name]
10-acetoxy-deacetyl-oxo-hydroraspacionin
1-Benzoxepin-3(2H)-one, 7-(acetyloxy)-6-[2-[(3S,5aS,6S,7R,9aS)-3-(acetyloxy)decahydro-7-hydroxy-2,2,5a,7-tetramethyl-1-benzoxepin-6-yl]ethyl]octahydro-2,2,5a,7-tetramethyl-, (5aS,6S,7S,9aS)- [ACD/Index Name]
Acétate de (5aS,6S,7S,9aS)-6-{2-[(3S,5aS,6S,7R,9aS)-3-acétoxy-7-hydroxy-2,2,5a,7-tétraméthyldécahydro-1-benzoxépin-6-yl]éthyl}-2,2,5a,7-tétraméthyl-3-oxodécahydro-1-benzoxépin-7-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: 629.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 106.7±6.0 kJ/mol
Flash Point: 185.1±25.0 °C
Index of Refraction: 1.521
Molar Refractivity: 160.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.20
ACD/LogD (pH 5.5): 5.45
ACD/BCF (pH 5.5): 8098.71
ACD/KOC (pH 5.5): 21839.08
ACD/LogD (pH 7.4): 5.45
ACD/BCF (pH 7.4): 8098.71
ACD/KOC (pH 7.4): 21839.08
Polar Surface Area: 108 Å2
Polarizability: 63.5±0.5 10-24cm3
Surface Tension: 44.3±5.0 dyne/cm
Molar Volume: 525.5±5.0 cm3

Click to predict properties on the Chemicalize site


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