ChemSpider 2D Image | (2R,4aS,5R,8aS)-1,1,4a-Trimethyl-6-methylene-5-{[(2-oxo-2H-chromen-7-yl)oxy]methyl}decahydro-2-naphthalenyl acetate | C26H32O5

(2R,4aS,5R,8aS)-1,1,4a-Trimethyl-6-methylene-5-{[(2-oxo-2H-chromen-7-yl)oxy]methyl}decahydro-2-naphthalenyl acetate

  • Molecular FormulaC26H32O5
  • Average mass424.529 Da
  • Monoisotopic mass424.224976 Da
  • ChemSpider ID127384465

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2R,4aS,5R,8aS)-1,1,4a-Trimethyl-6-methylen-5-{[(2-oxo-2H-chromen-7-yl)oxy]methyl}decahydro-2-naphthalinyl-acetat [German] [ACD/IUPAC Name]
(2R,4aS,5R,8aS)-1,1,4a-Trimethyl-6-methylene-5-{[(2-oxo-2H-chromen-7-yl)oxy]methyl}decahydro-2-naphthalenyl acetate [ACD/IUPAC Name]
2H-1-Benzopyran-2-one, 7-[[(1R,4aS,6R,8aS)-6-(acetyloxy)decahydro-5,5,8a-trimethyl-2-methylene-1-naphthalenyl]methoxy]- [ACD/Index Name]
Acétate de (2R,4aS,5R,8aS)-1,1,4a-triméthyl-6-méthylène-5-{[(2-oxo-2H-chromén-7-yl)oxy]méthyl}décahydro-2-naphtalényle [French] [ACD/IUPAC Name]
[(2R,4aR,5R,8aS)-1,1,4a-trimethyl-6-methylidene-5-[(2-oxochromen-7-yl)oxymethyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-yl] acetate
28691-96-5 [RN]
54631-86-6 [RN]
colladin

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

Density: 1.2±0.1 g/cm3
Boiling Point: 537.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.5±3.0 kJ/mol
Flash Point: 230.1±30.2 °C
Index of Refraction: 1.566
Molar Refractivity: 118.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.44
ACD/LogD (pH 5.5): 5.97
ACD/BCF (pH 5.5): 20410.50
ACD/KOC (pH 5.5): 42323.28
ACD/LogD (pH 7.4): 5.97
ACD/BCF (pH 7.4): 20410.50
ACD/KOC (pH 7.4): 42323.28
Polar Surface Area: 62 Å2
Polarizability: 46.8±0.5 10-24cm3
Surface Tension: 46.1±5.0 dyne/cm
Molar Volume: 362.2±5.0 cm3

Click to predict properties on the Chemicalize site


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