ChemSpider 2D Image | (2S,4aR,5R,6S)-6-Hydroxy-1,1,4a,6-tetramethyl-5-{[(2-oxo-2H-chromen-7-yl)oxy]methyl}decahydro-2-naphthalenyl acetate | C26H34O6

(2S,4aR,5R,6S)-6-Hydroxy-1,1,4a,6-tetramethyl-5-{[(2-oxo-2H-chromen-7-yl)oxy]methyl}decahydro-2-naphthalenyl acetate

  • Molecular FormulaC26H34O6
  • Average mass442.545 Da
  • Monoisotopic mass442.235535 Da
  • ChemSpider ID21474917

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(2S,4aR,5R,6S)-6-Hydroxy-1,1,4a,6-tetramethyl-5-{[(2-oxo-2H-chromen-7-yl)oxy]methyl}decahydro-2-naphthalenyl acetate [ACD/IUPAC Name]
(2S,4aR,5R,6S)-6-Hydroxy-1,1,4a,6-tetramethyl-5-{[(2-oxo-2H-chromen-7-yl)oxy]methyl}decahydro-2-naphthalinyl-acetat [German] [ACD/IUPAC Name]
2H-1-Benzopyran-2-one, 7-[[(1R,2S,6S,8aR)-6-(acetyloxy)decahydro-2-hydroxy-2,5,5,8a-tetramethyl-1-naphthalenyl]methoxy]- [ACD/Index Name]
Acétate de (2S,4aR,5R,6S)-6-hydroxy-1,1,4a,6-tétraméthyl-5-{[(2-oxo-2H-chromén-7-yl)oxy]méthyl}décahydro-2-naphtalényle [French] [ACD/IUPAC Name]
(3S,8S,6R,7R)-8-hydroxy-2,2,6,8-tetramethyl-7-[(2-oxochromen-7-yloxy)methyl]bi cyclo[4.4.0]dec-3-yl acetate
(3S,8S,6R,7R)-8-hydroxy-2,2,6,8-tetramethyl-7-[(2-oxochromen-7-yloxy)methyl]bicyclo[4.4.0]dec-3-yl acetate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 565.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.4±3.0 kJ/mol
Flash Point: 185.0±23.6 °C
Index of Refraction: 1.572
Molar Refractivity: 120.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.96
ACD/LogD (pH 5.5): 4.77
ACD/BCF (pH 5.5): 2501.76
ACD/KOC (pH 5.5): 9420.20
ACD/LogD (pH 7.4): 4.77
ACD/BCF (pH 7.4): 2501.76
ACD/KOC (pH 7.4): 9420.20
Polar Surface Area: 82 Å2
Polarizability: 47.6±0.5 10-24cm3
Surface Tension: 50.4±5.0 dyne/cm
Molar Volume: 364.8±5.0 cm3

Click to predict properties on the Chemicalize site


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